SCHEMBL1199874

SCHEMBL1199874

O=c1ccc2ccc(NC3NCCN3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
F11 P03951 1/20 0.38
AR P10275 4/20 0.37
MAPK1 P28482 3/20 0.37
IDO1 P14902 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAPT P10636 4/20 0.34
THRB P10828 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8264491 0.80 AR (0.51) KIF11CA12CA9CA1CA3
SCHEMBL8567454 0.76 ITK (0.48) KIF11AR
SCHEMBL11857777 0.74 KIF11 (0.51) KIF11CA12CA9CA1CA3
SCHEMBL3661475 0.73 ALDH1A1 (0.62) MAPK1MAPTKDM4EMEN1APAF1
SCHEMBL8059743 0.70 AR (0.55) KIF11CA12CA9CA1CA3
SCHEMBL4300332 0.70 ITK (0.47) CA12CA9CA1CA3CA4
SCHEMBL3594957 0.69 MAOA (0.52) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL1775364 0.67 KIF11 (0.45) KIF11CA12CA9CA1CA3
SCHEMBL17951770 0.66 MAPK1 (0.68) KIF11CA12CA9CA1CA3
SCHEMBL18517520 0.66 HK1 (0.39) KIF11CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008857-A1 Method and Therapeutic/Cosmetic Topical Compositions for the Treatment of Rosacea and Skin Erythema Using A1-Adrenoceptor Agonists ASPECT PHARMACEUTICALS LLC 2019-01-10 US disclosed
US-20180360827-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ASPECT PHARMACEUTICALS LLC 2018-12-20 US disclosed
US-20170231985-A9 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ALLERGAN, INC. 2017-08-17 US disclosed
US-20160082007-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ALLERGAN, INC. 2016-03-24 US disclosed
US-20150272948-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ALLERGAN, INC. 2015-10-01 US disclosed
US-8877793-B2 Method and therapeutic/cosmetic topical compositions for the treatment of rosacea and skin erythema using α1-adrenoceptor agonists ALLERGAN, INC. (US) 2014-11-04 US disclosed
US-8815929-B2 Method and therapeutic/cosmetic topical compositions for the treatment of rosacea and skin erythema using α1-adrenoceptor agonists ALLERGAN, INC. (US) 2014-08-26 US disclosed
US-20130195944-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ALLERGAN, INC. (US) 2013-08-01 US disclosed
US-20130195943-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ALLERGAN, INC. (US) 2013-08-01 US disclosed
US-8420688-B2 Method and therapeutic/cosmetic topical compositions for the treatment of rosacea and skin erythema using α1-adrenoceptor agonists ALLERGAN, INC. (US) 2013-04-16 US disclosed
US-20110034423-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS VICEPT THERAPEUTICS, INC. (US) 2011-02-10 US disclosed
US-20110027201-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS VICEPT THERAPEUTICS, INC. (US) 2011-02-03 US disclosed
US-7812049-B2 alpha 1-adrenoceptor agonists for treating skin redness; oxymetazoline hydrochloride VICEPT THERAPEUTICS, INC. (US) 2010-10-12 US disclosed
US-20100233109-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS VICEPT THERAPEUTICS, INC. (US) 2010-09-16 US disclosed
US-20050165079-A1 alpha 1-adrenoceptor agonists for treating skin redness; oxymetazoline hydrochloride EPI HEALTH, LLC 2005-07-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150272948-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20050165079-A1 alpha 1-adrenoceptor agonists for treating skin redness; oxymetazoline hydrochloride ADRA1A, ADRA1D, ADRA2A KIF11 2848/4885CA12 4648/4885CA9 4181/4885
US-20170231985-A9 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20180360827-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 2796/4885CA12 3650/4885CA9 3987/4885
US-20130195943-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20110034423-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20160082007-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20110027201-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20100233109-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20130195944-A1 METHOD AND THERAPEUTIC/COSMETIC TOPICAL COMPOSITIONS FOR THE TREATMENT OF ROSACEA AND SKIN ERYTHEMA USING A1-ADRENOCEPTOR AGONISTS ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885
US-20190008857-A1 Method and Therapeutic/Cosmetic Topical Compositions for the Treatment of Rosacea and Skin Erythema Using A1-Adrenoceptor Agonists ADRA1A, ADRA2A, ADRA1D KIF11 3234/4885CA12 4153/4885CA9 3782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.