SCHEMBL6500925

SCHEMBL6500925

NC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.65
PARP10 Q53GL7 2/20 0.65
MKNK1 Q9BUB5 4/20 0.63
MKNK2 Q9HBH9 4/20 0.63
TSHR P16473 2/20 0.60
BCL2L1 Q07817 1/20 0.60
BAD Q92934 1/20 0.60
TP53 P04637 1/20 0.60
DHODH Q02127 1/20 0.59
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 3/20 0.57
POLB P06746 1/20 0.56
CYP3A4 P08684 1/20 0.56
PARP1 P09874 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56

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
Terephthalamic Acid SCHEMBL16583862 1.00 PARP15 (0.65) PARP15PARP10MKNK1MKNK2TSHR
Terephthalamide SCHEMBL29077776 0.92 PARP10 (0.74) PARP15PARP10MKNK1MKNK2TSHR
Terephthalamic Acid SCHEMBL227899 0.92 PARP10 (0.74) PARP15PARP10MKNK1MKNK2TSHR
Terephthalamide SCHEMBL27396114 0.92 PARP10 (0.74) PARP15PARP10MKNK1MKNK2TSHR
Terephthalamic Acid SCHEMBL6859681 0.90 PARP10 (0.71) PARP15PARP10TSHRTP53DHODH
Terephthalamic Acid SCHEMBL29054146 0.90 PARP10 (0.71) PARP15PARP10MKNK1MKNK2TSHR
SCHEMBL6668763 0.89 TSHR (0.75) TSHRBCL2L1BADTP53CA12
SCHEMBL1002578 0.89 CA2 (0.67) PARP15PARP10MKNK1MKNK2TSHR
SCHEMBL69873 0.87 TSHR (0.80) TSHRBCL2L1BADTP53CA12
SCHEMBL14018385 0.87 TSHR (0.80) TSHRBCL2L1BADTP53CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63150243-A None JP disclosed
EP-2772484-B1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC (JP) 2017-06-28 EP disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
EP-2772484-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2014-09-03 EP disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 US disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
JP-S63150243-A PRODUCTION OF 4,4'-BIPHENYLDICARBOXYLIC ACID MITSUI TOATSU CHEM INC 1988-06-22 JP 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 (4 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 PARP15 1617/4885PARP10 1670/4885MKNK1 2361/4885
US-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 PARP15 3527/4885PARP10 3641/4885MKNK1 175/4885
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B PARP15 2812/4885PARP10 2688/4885MKNK1 3957/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 PARP15 672/4885PARP10 1024/4885MKNK1 2498/4885

“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.