SCHEMBL2157305

SCHEMBL2157305

Nc1cccc(CCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SIGMAR1 Q99720 1/20 0.54
CYP1B1 Q16678 2/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
ALDH1A1 P00352 1/20 0.49
ALDH2 P05091 1/20 0.49
PKM P14618 1/20 0.49
ALDH3A1 P30838 1/20 0.49
CASP3 P42574 1/20 0.49
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL18041403 0.94 TDP1 (0.70) TDP1L3MBTL1CYP1B1
SCHEMBL1940988 0.91 CASP3 (0.59) TDP1L3MBTL1SIGMAR1CYP1B1MAOA
SCHEMBL30371663 0.82 TDP1 (0.86) TDP1L3MBTL1CYP1B1MAOBALDH1A1
SCHEMBL45050 0.82 TDP1 (0.86) TDP1L3MBTL1CYP1B1MAOBALDH1A1
SCHEMBL20819273 0.82 RAB9A (0.44) TDP1L3MBTL1SIGMAR1MAOAMAOB
SCHEMBL14044517 0.82 TDP1 (0.60) TDP1L3MBTL1CYP1B1MAOBALDH1A1
SCHEMBL2754682 0.82 CYP1B1 (0.61) TDP1L3MBTL1CYP1B1ALDH1A1ALDH2
SCHEMBL17260677 0.82 TDP1 (0.60) TDP1L3MBTL1CYP1B1ALDH1A1ALDH2
SCHEMBL10352124 0.82 TDP1 (0.60) TDP1L3MBTL1CYP1B1MAOBALDH1A1
SCHEMBL2207464 0.82 TDP1 (0.60) TDP1L3MBTL1CYP1B1ALDH1A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO disclosed
EP-1123295-B1 BICYCLIC NITROGEN HETEROCYCLES HOFFMANN LA ROCHE (CH) 2004-09-29 EP disclosed
EP-1123295-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2001-08-16 EP disclosed
US-6150373-A AMINO-SUBSTITUTED DIHYDROPYRIMIDO(4,5-D)PYRIMIDINONE DERIVATIVES; INHIBITORS OF THE T-CELL TYROSINE KINASE P56LCK; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY/-CARCINOGENIC AGENTS; BRONCHOPULMONARY, DERMATOLOGICAL AND CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000024744-A1 BICYCLIC NITROGEN HETEROCYCLES F. HOFFMANN-LA ROCHE AG (CH) 2000-05-04 WO 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 (3 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TDP1 1421/4885L3MBTL1 4107/4885SIGMAR1 4154/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TDP1 1421/4885L3MBTL1 4107/4885SIGMAR1 4154/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 TDP1 1421/4885L3MBTL1 4107/4885SIGMAR1 4154/4885

“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.