SCHEMBL3010137

SCHEMBL3010137

CCOC(=O)C1=C[N]N=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
TSHR P16473 1/20 0.42
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL11212221 0.70 SMN1; SMN2 (0.41) CA12CA1CA2CA9LMNA
SCHEMBL21407149 0.69 HDAC4 (0.33) CA12CA1CA9NPC1LMNA
SCHEMBL7288909 0.69 CYP1A2 (0.43) CYP1A2TSHRCA12CA1CA2
SCHEMBL21407345 0.69 APOBEC3A (0.39) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL1196354 0.68
SCHEMBL9735115 0.67 CYP1A2 (0.41) CYP1A2TSHRCA12CA1CA2
SCHEMBL9735228 0.66 CYP1A2 (0.40) CYP1A2TSHRCA12CA1CA2
SCHEMBL21633432 0.65 CYP1A2 (0.43) CYP1A2TSHRCA12CA1CA2
SCHEMBL21633299 0.65 CYP1A2 (0.43) CYP1A2TSHRCA12CA1CA2
SCHEMBL8860780 0.65 CYP1A2 (0.43) CYP1A2TSHRCA12CA1CA2

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 CN claimed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US claimed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP claimed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO claimed
EP-1487827-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2004-12-22 EP claimed
WO-2003082862-A1 ANTI-INFLAMMATORY MORPHOLIN-ACETAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-09 WO claimed
EP-3828177-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-11-29 EP disclosed
EP-3828177-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2021-06-02 EP disclosed
WO-2020022412-A1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT 三井化学アグロ株式会社 2020-01-30 WO disclosed
CN-101784516-B Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2014-07-02 CN disclosed
US-8367709-B2 Dipeptide analogs as coagulation factor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-05 US disclosed
CN-101784516-A Dipeptide analogs as coagulation factor inhibitors BRISTOL MYERS SQUIBB CO 2010-07-21 CN disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-1095013-A1 PHENYL-METHOXYIMINO-ACETIC ACID DERIVATIVES AS PESTICIDES Bayer Aktiengesellschaft (DE) 2001-05-02 EP disclosed
EP-1076642-A1 PHENYL-METHOXYIMINO-GLYOXYLIC ACID DERIVATIVES AS PESTICIDES Novartis AG (CH) 2001-02-21 EP disclosed
WO-2000041476-A2 N-ALKOXY-N-PHENYLCARBAMATE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
WO-2000005222-A1 DIHYDROTRIAZOLONE DERIVATIVES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2000-02-03 WO disclosed
WO-2000003974-A1 PHENYL-METHOXYIMINO-ACETIC ACID DERIVATIVES AS PESTICIDES SYGENTA PARTICIPATIONS AG (CH) 2000-01-27 WO disclosed
WO-1999050232-A1 PHENYL-METHOXYIMINO-GLYOXYLIC ACID DERIVATIVES AS PESTICIDES NOVARTIS AG (CH) 1999-10-07 WO disclosed
CN-1153509-A Process for the preparation of methylamides of alpha-methoxyiminocarboxylic acids and intermediates therefor BASF AG (DE) 1997-07-02 CN 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 (1 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-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 CYP1A2 4420/4885TSHR 3360/4885CA12 1208/4885

“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.