SCHEMBL13556232

SCHEMBL13556232

Cc1cc2cc(C(=O)Nc3ccccc3C(=O)O)c(=O)oc2cc1C

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.73
RAB9A P51151 4/20 0.73
KMT2A Q03164 2/20 0.73
MEN1 O00255 1/20 0.73
MAOB P27338 10/20 0.62
F12 P00748 4/20 0.62
MAOA P21397 6/20 0.59
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL12723651 0.89 MAOB (0.61) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL13556252 0.89 MAOB (0.61) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL20106670 0.86 RAB9A (0.70) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL20101487 0.85 ALDH1A1 (0.62) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL12723220 0.80 RAB9A (0.62) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL11512228 0.80 CA12 (0.66) MAOBMAOAALDH1A1
SCHEMBL16838626 0.77 RAB9A (0.57) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL13556251 0.76 MEN1 (0.50) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL9606855 0.75 MAOB (0.65) NPC1RAB9AKMT2AMEN1MAOB
SCHEMBL16838624 0.75 MAOB (0.65) NPC1RAB9AKMT2AMEN1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION OCCURX PTY LTD (AU) 2018-05-03 US disclosed
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-9951087-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2018-04-24 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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-09-24 US disclosed
US-9062076-B2 Fused ring analogues of anti-fibrotic agents FIBROTECH THERAPEUTICS PTY LTD (AU) 2015-06-23 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-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2012-10-25 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 (6 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-20150266893-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 NPC1 1936/4885RAB9A 2239/4885KMT2A 4025/4885
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885KMT2A 2447/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885KMT2A 2447/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 NPC1 1936/4885RAB9A 2239/4885KMT2A 4025/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885KMT2A 2447/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885KMT2A 2447/4885

“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.