SCHEMBL4764684

SCHEMBL4764684

CCC1=Nc2ccccc2C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.39
ALDH1A1 P00352 8/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 2/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 6/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
HSP90AA1 P07900 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
APAF1 O14727 2/20 0.33
MAPK1 P28482 2/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33

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
SCHEMBL9175519 0.86 SHMT2 (0.34) SHMT2ALDH1A1KDM4EHPGDMAPT
SCHEMBL8780480 0.83 PTPN1 (0.35) SHMT2ALDH1A1KDM4EMAPTAPAF1
SCHEMBL9181125 0.82 MAPT (0.35) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL2821603 0.82 PTPN1 (0.40) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL3014252 0.82 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL14311341 0.82 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL19211201 0.82 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDCYP2D6MAPT
SCHEMBL9176975 0.81 KDM4E (0.32) ALDH1A1KDM4EHPGDCYP2D6MAPT
SCHEMBL472760 0.81 PTPN1 (0.42) LMNAL3MBTL1TDP1CES1TSHR
SCHEMBL21065455 0.81 PTPN1 (0.42) LMNAL3MBTL1TDP1CES1TSHR

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
EP-3083630-B1 PROCESS METHODS FOR PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2019-08-21 EP disclosed
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
EP-1094816-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-12-10 EP disclosed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
EP-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
US-6852745-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-08 US disclosed
US-6835741-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-07-01 US disclosed
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists PHARMACOPEIA, LLC 2004-06-03 US disclosed
CN-1149196-C Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists ����˹�ж�-����˹˹������˾ 2004-05-12 CN disclosed
WO-1992013853-A1 PHARMACEUTICAL AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO disclosed
EP-0495948-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1992-07-29 EP disclosed
EP-0495626-A1 Process for the preparation of tetrazole derivatives ZENECA LIMITED (GB) 1992-07-22 EP disclosed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP disclosed
CN-1059516-A The preparation method of biphenylcarbonitriles ICI LTD (GB) 1992-03-18 CN disclosed
WO-1992002508-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-20 WO disclosed
EP-0470795-A1 Process for the manufacture of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
EP-0470794-A1 Process for the preparation of nitriles ZENECA LIMITED (GB) 1992-02-12 EP disclosed
CN-1050187-A New quinoline compound and preparation method thereof ICI PLC (GB) 1991-03-27 CN disclosed
EP-0412848-A2 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-02-13 EP 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-20040127515-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA SHMT2 2378/4885ALDH1A1 1854/4885KDM4E 1602/4885
US-20040106833-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists EDNRB, AGTR2, EDNRA SHMT2 2378/4885ALDH1A1 1854/4885KDM4E 1602/4885

“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.