SCHEMBL396757

SCHEMBL396757

COc1cccc(-c2ccccc2N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.55
ADORA2A P29274 3/20 0.54
ADORA1 P30542 2/20 0.54
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 3/20 0.52
BRD4 O60885 1/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A1 P04798 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2E1 P05181 2/20 0.49
CYP2C8 P10632 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2A6 P11509 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP4B1 P13584 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP3A5 P20815 2/20 0.49
CYP2A7 P20853 2/20 0.49

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
SCHEMBL30785681 1.00 TDO2 (0.55) TDO2ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL3490386 0.87 TDO2 (0.54) TDO2ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL2020140 0.86 ABL1 (0.59) TDO2ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL28255761 0.85 TDO2 (0.55) TDO2ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL1271676 0.85 ALDH1A1 (0.56) TDO2ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL13211663 0.82 ABL1 (0.60) TDO2ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL3455245 0.82 ABL1 (0.60) TDO2ADORA2AADORA1ALDH1A1CYP3A4
SCHEMBL6571024 0.82 CYP3A4 (0.58) TDO2ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL6011438 0.82 CYP3A4 (0.58) TDO2ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL227526 0.82 CYP11B2 (0.63) CYP3A4CYP1A2CYP2D6CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924369-A Phosphite group-containing carbazole polymerization inhibitor, preparation method and application thereof 万华化学集团股份有限公司 2024-04-26 CN disclosed
CN-110128570-B Dendritic photosensitizer containing benzidine-based fragment, synthetic method and application 郑州工程技术学院 2021-06-15 CN disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
EP-2922596-B1 HETEROCYCLYL CARBOXAMIDES FOR TREATING VIRAL DISEASES NOVADRUG LLC (US) 2018-05-23 EP disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
EP-1856024-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 EP disclosed
EP-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP disclosed
WO-2006092429-A1 METHOD FOR PRODUCING SUBSTITUTED BIPHENYLS BASF AKTIENGESELLSCAHFT (DE) 2006-09-08 WO disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
EP-1567502-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES Wyeth (US) 2005-08-31 EP disclosed
US-6894061-B2 Substituted dihydrophenanthridinesulfonamides WYETH (US) 2005-05-17 US disclosed
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides WYETH 2004-08-26 US disclosed
WO-2004050631-A1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH (US) 2004-06-17 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 (6 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TDO2 4560/4885ADORA2A 239/4885ADORA1 259/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TDO2 4560/4885ADORA2A 239/4885ADORA1 259/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TDO2 4560/4885ADORA2A 239/4885ADORA1 259/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 TDO2 4560/4885ADORA2A 497/4885ADORA1 545/4885
US-20040167155-A1 Substituted dihydrophenanthridinesulfonamides TNNT2, TNNI3, SIRT5 TDO2 2916/4885ADORA2A 4697/4885ADORA1 4694/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 TDO2 4575/4885ADORA2A 512/4885ADORA1 359/4885

“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.