SCHEMBL111095

SCHEMBL111095

Cc1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.74
MEN1 O00255 7/20 0.74
KMT2A Q03164 7/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
KDM4E B2RXH2 4/20 0.74
LMNA P02545 1/20 0.74
POLB P06746 1/20 0.74
ALDH1A1 P00352 5/20 0.67
HPGD P15428 5/20 0.67
NPSR1 Q6W5P4 2/20 0.67
CYP3A4 P08684 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
TNIK Q9UKE5 1/20 0.66
TP53 P04637 3/20 0.59
HIF1A Q16665 2/20 0.57
CYP2C9 P11712 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ABCC4 O15439 1/20 0.57

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
SCHEMBL2779401 0.88 MEN1 (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL110012 0.88 MEN1 (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL21024834 0.87 MEN1 (0.70) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL14227305 0.86 ALDH1A1 (0.65) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL15396755 0.86 MMP1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8638078 0.85 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL8638075 0.85 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL111461 0.85 MMP1 (0.75) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL15396457 0.85 MMP1 (0.54) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL111222 0.84 MMP1 (0.59) MMP1MMP2MMP9EGFR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
US-9839640-B2 Methods of treating eye diseases associated with inflammation and vascular proliferation OCCURX PTY LTD (AU) 2017-12-12 US disclosed
US-9561201-B2 Therapeutic compounds FIBROTECH THERAPEUTICS PTY LTD (AU) 2017-02-07 US disclosed
US-20140357628-A1 THERAPEUTIC COMPOUNDS FIBROTECH THERAPEUTICS PTY LTD (AU) 2014-12-04 US disclosed
US-8624056-B2 Halogenated analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD 2014-01-07 US disclosed
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION FIBROTECH THERAPEUTICS PTY LTD (AU) 2013-11-21 US disclosed
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS THE UNIVERSITY OF MELBOURNE (AU) 2012-03-08 US disclosed
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-01-27 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 (7 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-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA SMN1; SMN2 3952/4885MEN1 3939/4885KMT2A 2447/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA SMN1; SMN2 3952/4885MEN1 3939/4885KMT2A 2447/4885
US-20140357628-A1 THERAPEUTIC COMPOUNDS NFATC1, AADAC, NAT1 SMN1; SMN2 2743/4885MEN1 2604/4885KMT2A 1715/4885
US-20120059188-A9 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF SMN1; SMN2 3090/4885MEN1 3475/4885KMT2A 3218/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA SMN1; SMN2 3952/4885MEN1 3939/4885KMT2A 2447/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA SMN1; SMN2 3952/4885MEN1 3939/4885KMT2A 2447/4885
US-20110021815-A1 HALOGENATED ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, HDGF SMN1; SMN2 3090/4885MEN1 3475/4885KMT2A 3218/4885

“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.