SCHEMBL1867386

SCHEMBL1867386

O=C(O)c1ccc(-c2ccc(=O)[nH]c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
GRIK1 P39086 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TTR P02766 1/20 0.44
SRD5A2 P31213 2/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 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
SCHEMBL437592 0.83 TP53 (0.50) TP53TSHRALDH1A1CA12CA1
SCHEMBL694974 0.79 MAPT (0.48) KDM4EALDH1A1HSD17B10
SCHEMBL1875943 0.78 LDHA (0.58) TP53KDM4EALDH1A1HSD17B10
SCHEMBL2637326 0.78 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
SCHEMBL14018385 0.78 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
SCHEMBL69873 0.78 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
Terephthalic Acid SCHEMBL9577834 0.78 TSHR (0.80) BCL2L1BADTP53TSHRRXRA
SCHEMBL10889799 0.77 ESR1 (0.50) BCL2L1ALDH1A1
SCHEMBL19461144 0.76 ERCC1 (0.45) ALDH1A1
SCHEMBL19466166 0.76 ABCC4 (0.58) TSHRRXRARXRBALDH1A1CA2

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-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 US disclosed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
US-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 US disclosed
EP-1263726-B1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA SANOFI AVENTIS DEUTSCHLAND (DE) 2007-09-26 EP disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 US disclosed
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 US disclosed
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
EP-1263726-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2002-12-11 EP disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 US disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 WO disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 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-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 BCL2L1 2942/4885BAD 1340/4885TP53 4848/4885
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 BCL2L1 2940/4885BAD 2991/4885TP53 4808/4885
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 BCL2L1 1298/4885BAD 436/4885TP53 4059/4885
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa TFPI, SERPINC1, HABP2 BCL2L1 2942/4885BAD 1340/4885TP53 4848/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 BCL2L1 2940/4885BAD 2991/4885TP53 4808/4885

“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.