SCHEMBL1027293

SCHEMBL1027293

COc1cc2c(cc1N)C(=O)CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43

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
SCHEMBL18830560 0.93 HSD17B1 (0.49) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL424613 0.86 HSD17B1 (0.54) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL9621080 0.82 KMT2A (0.53) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL9621112 0.82 KMT2A (0.53) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL14052726 0.81 HSD17B1 (0.50) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL30759603 0.81 HSD17B1 (0.50) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL1807630 0.81 HSD17B1 (0.50) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL661560 0.80 ACHE (0.54) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL11461839 0.80 HSD17B1 (0.49) HSD17B1MEN1KMT2AMAPK1NPSR1
SCHEMBL30558410 0.80 HSD17B1 (0.49) HSD17B1MEN1KMT2AMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
EP-1263763-B1 TUBULIN BINDING LIGANDS UNIV BAYLOR (US) 2007-07-25 EP disclosed
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs PINNEY KEVIN G 2006-06-29 US disclosed
US-7001926-B2 Tubulin binding agents and corresponding prodrug constructs OXIGENE, INC. (US) 2006-02-21 US disclosed
WO-2004087061-A2 TUBULIN BINDING AGENTS AND CORRESPONDING PRODRUG CONSTRUCTS OXIGENE, INC. (US) 2004-10-14 WO disclosed
US-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2004-03-04 US disclosed
US-6593374-B2 Such as 3-(3'4'5'-trimethoxybenzoyl)-2-(3'benzylphosphate 4'methoxyphenyl)-6-methoxybenzo(b)thiophene; functionalized to prepare phosphate esters, phosphate salts, and phosphoramidates useful as antitumor agents BAYLOR UNIVERSITY 2003-07-15 US disclosed
EP-1263763-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2002-12-11 EP disclosed
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2002-05-09 US disclosed
WO-2001068654-A2 TUBULIN BINDING LIGANDS AND CORRESPONDING PRODRUG CONSTRUCTS BAYLOR UNIVERSITY (US) 2001-09-20 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 (5 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-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB HSD17B1 4441/4885MEN1 4114/4885KMT2A 2836/4885
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs TUBB, TUBB3, TUBB4A HSD17B1 4249/4885MEN1 4135/4885KMT2A 3253/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 HSD17B1 2190/4885MEN1 2301/4885KMT2A 2852/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 HSD17B1 155/4885MEN1 514/4885KMT2A 1006/4885
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB HSD17B1 4441/4885MEN1 4114/4885KMT2A 2836/4885

“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.