SCHEMBL3087359

SCHEMBL3087359

Cc1cc(N)cc(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
PARP1 P09874 1/20 0.52
TPMT P51580 1/20 0.50
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
C1S P09871 1/20 0.48
PRSS3 P35030 1/20 0.48
PARP10 Q53GL7 2/20 0.43
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HCAR1 Q9BXC0 1/20 0.39
DHODH Q02127 2/20 0.39
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL501850 0.91 PARP1 (0.60) TSHRALDH1A1PARP1TPMTPRSS1
SCHEMBL12865158 0.85 PARP1 (0.60) TSHRALDH1A1PARP1TPMTPRSS1
SCHEMBL7194390 0.84 ALDH1A1 (0.57) TSHRALDH1A1PARP1TPMTPRSS1
SCHEMBL890399 0.83 CYP3A4 (0.44) TSHRALDH1A1PARP1PARP10KMT2A
SCHEMBL1807992 0.83 KDM4E (0.46) TSHRALDH1A1PARP1PARP10KMT2A
SCHEMBL10066340 0.82 TSHR (0.55) TSHRALDH1A1PARP1TPMTPRSS1
SCHEMBL30269671 0.82 TPMT (0.77) TSHRALDH1A1TPMTPRSS1PRSS2
SCHEMBL7424594 0.82 TPMT (0.77) TSHRALDH1A1TPMTPRSS1PRSS2
Hydrochloric Acid SCHEMBL9563848 0.80 CYP3A4 (0.43) TSHRALDH1A1PARP1PRSS1PRSS2
Iodide SCHEMBL9844728 0.80 KDM4E (0.45) TSHRALDH1A1PARP1PARP10KMT2A

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-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 US disclosed
CN-104370885-B Aminopyridine derivatives and application thereof 中国人民解放军军事医学科学院毒物药物研究所 2017-10-10 CN disclosed
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
CN-101500993-A 2-aminocarbonylphenylamino-2-phenylacetamides as factor VIIa inhibitors useful as anticoagulants BRISTOL MYERS SQUIBB CO (US) 2009-08-05 CN disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 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 (2 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-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 TSHR 4002/4885ALDH1A1 3134/4885PARP1 1865/4885
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 TSHR 761/4885ALDH1A1 2361/4885PARP1 2203/4885

“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.