SCHEMBL12723353

SCHEMBL12723353

C#CCOc1ccc(/C=C/c2nc3ccccc3o2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 16/20 0.48
▸ ATP4B P51164 16/20 0.48
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9607129 0.88 SMN1; SMN2 (0.50) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL12723254 0.85 NPC1 (0.54) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13556291 0.76 MAPT (0.54) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL12723653 0.76 MAPT (0.50) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL13556298 0.76 KMT2A (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1591009 0.74 NPC1 (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1591007 0.74 NPC1 (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL708951 0.71 NPC1 (0.63) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL708950 0.71 NPC1 (0.63) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL28510187 0.71 NPC1 (0.52) ATP4AATP4BMEN1KMT2ANPC1

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-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
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 ATP4A 3524/4885ATP4B 4092/4885MEN1 4394/4885
US-20180117049-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA ATP4A 2571/4885ATP4B 4267/4885MEN1 3939/4885
US-20130310386-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA ATP4A 2571/4885ATP4B 4267/4885MEN1 3939/4885
US-20120270863-A1 FUSED RING ANALOGUES OF ANTI-FIBROTIC AGENTS MMP1, FIBP, COL2A1 ATP4A 3524/4885ATP4B 4092/4885MEN1 4394/4885
US-20180117050-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA ATP4A 2571/4885ATP4B 4267/4885MEN1 3939/4885
US-20180117051-A1 METHODS OF TREATING EYE DISEASES ASSOCIATED WITH INFLAMMATION AND VASCULAR PROLIFERATION VCAM1, PTGIS, NFKBIA ATP4A 2571/4885ATP4B 4267/4885MEN1 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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