SCHEMBL1025249

SCHEMBL1025249

COc1cc2c(cc1[N+](=O)[O-])C(=O)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40
▸ TUBB4B P68371 1/20 0.40
▸ TUBB3 Q13509 1/20 0.40
▸ TUBB2A Q13885 1/20 0.40
▸ TUBB8 Q3ZCM7 1/20 0.40
▸ TUBA3E Q6PEY2 1/20 0.40
▸ TUBA1A Q71U36 1/20 0.40

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
SCHEMBL7002049 0.91 TDP1 (0.44) TDP1ALDH1A1LMNASIRT6KMT2A
SCHEMBL8113298 0.87 HSD17B1 (0.37) HSD17B1TDP1ALDH1A1LMNASIRT6
SCHEMBL7000772 0.85 TDP1 (0.44) TDP1ALDH1A1LMNASIRT6KMT2A
SCHEMBL424613 0.81 HSD17B1 (0.54) HSD17B1ALDH1A1LMNAKMT2AMEN1
SCHEMBL1025994 0.80 KMT2A (0.44) HSD17B1ALDH1A1KMT2AMEN1MAPK1
SCHEMBL20214438 0.80 KMT2A (0.58) TDP1ALDH1A1LMNASIRT6KMT2A
SCHEMBL9621112 0.77 KMT2A (0.53) HSD17B1ALDH1A1LMNAKMT2AMEN1
SCHEMBL9621080 0.77 KMT2A (0.53) HSD17B1ALDH1A1LMNAKMT2AMEN1
SCHEMBL2205282 0.77 MEN1 (0.48) TDP1ALDH1A1LMNASIRT6KMT2A
SCHEMBL25276892 0.77 MAPT (0.49) HSD17B1ALDH1A1KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 — — US disclosed
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
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
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
US-20040043969-A1 Tubulin binding agents and corresponding prodrug constructs MATEON THERAPEUTICS, INC. 2004-03-04 — — US disclosed
EP-1015437-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING AG (DE) 2003-12-03 — — EP 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
US-6365736-B1 TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-04-02 — — 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 4441/4885TDP1 783/4885ALDH1A1 3346/4885
US-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 HSD17B1 4229/4885TDP1 934/4885ALDH1A1 950/4885
US-20020055643-A1 Tubulin binding ligands and corresponding prodrug constructs TUBB, TUBB3, TUBB4A HSD17B1 4249/4885TDP1 848/4885ALDH1A1 3462/4885
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 HSD17B1 2190/4885TDP1 4245/4885ALDH1A1 180/4885
US-20060142252-A1 Tubulin binding agents and corresponding prodrug constructs TUBB4A, TUBB3, TUBB HSD17B1 4441/4885TDP1 783/4885ALDH1A1 3346/4885

“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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