SCHEMBL12723653

SCHEMBL12723653

C#CCOc1ccc(/C=C/c2nc3ccccc3s2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ ATP4A P20648 14/20 0.48
▸ ATP4B P51164 14/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ APP P05067 1/20 0.48
▸ INSR P06213 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
SCHEMBL9607131 0.88 MAPT (0.60) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL13556291 0.76 MAPT (0.54) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL12723353 0.76 ATP4A (0.48) KMT2AMEN1RAB9AALDH1A1ATP4A
SCHEMBL2526639 0.75 MAPT (0.74) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL2526641 0.75 MAPT (0.74) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL12723254 0.73 NPC1 (0.54) KMT2AMEN1RAB9AKDM4EALDH1A1
SCHEMBL23111840 0.72 MAPT (0.54) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL23111842 0.72 MAPT (0.54) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL319385 0.72 MEN1 (0.77) MAPTKMT2AMEN1RAB9AKDM4E
SCHEMBL29559249 0.72 MEN1 (0.77) MAPTKMT2AMEN1RAB9AKDM4E

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-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-20180117050-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 MAPT 4668/4885KMT2A 4025/4885MEN1 4394/4885
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885KMT2A 2447/4885MEN1 3939/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885KMT2A 2447/4885MEN1 3939/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 MAPT 4668/4885KMT2A 4025/4885MEN1 4394/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885KMT2A 2447/4885MEN1 3939/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA MAPT 1865/4885KMT2A 2447/4885MEN1 3939/4885

“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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