SCHEMBL12723254

SCHEMBL12723254

C#CCOc1ccc(/C=C/c2nc3ccccc3c(=O)o2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ ELANE P08246 5/20 0.54
▸ KMT2A Q03164 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ POLB P06746 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL1591009 0.89 NPC1 (0.59) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL1591007 0.89 NPC1 (0.59) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL13556298 0.86 KMT2A (0.39) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL12723353 0.85 ATP4A (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL16838646 0.85 ELANE (0.50) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL12723510 0.81 NPC1 (0.72) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL12723508 0.80 ELANE (0.70) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL12723717 0.79 NPC1 (0.70) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL1589854 0.77 NPC1 (0.72) NPC1RAB9AELANEKMT2AMEN1
SCHEMBL13556324 0.77 ELANE (0.65) NPC1RAB9AELANEKMT2AMEN1

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-20180117051-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
WO-2011047432-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS FIBROTECH THERAPEUTICS PTY LTD (AU) 2011-04-28 — — 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 (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 2239/4885ELANE 35/4885
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885ELANE 123/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885ELANE 123/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 NPC1 1936/4885RAB9A 2239/4885ELANE 35/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885ELANE 123/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA NPC1 4173/4885RAB9A 4497/4885ELANE 123/4885

“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.

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