SCHEMBL931870

SCHEMBL931870

COc1cc(C(=O)Cl)cc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
TAS1R2 Q8TE23 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 2/20 0.37

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
SCHEMBL669091 0.88 ALDH1A1 (0.64) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL5761347 0.85 ALDH1A1 (0.52) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL837798 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL567975 0.84 ALDH1A1 (0.76) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL13570729 0.84 ALDH1A1 (0.50) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL31287794 0.84 ALDH1A1 (0.76) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL6964278 0.82 ALDH1A1 (0.58) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL13689282 0.81 TAS1R3 (0.48) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL13687513 0.81 TAS1R3 (0.48) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL29827163 0.81 TAS1R3 (0.48) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574175-B Quinoline compound, preparation method and application thereof 南京长澳医药科技有限公司 2023-11-14 CN disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
WO-2021057190-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREFOR AND USE THEREOF 上海阳帆医药科技有限公司 2021-04-01 WO disclosed
CN-112574175-A Quinoline compound, preparation method and application thereof 上海阳帆医药科技有限公司 2021-03-30 CN disclosed
WO-2011005295-A1 MODULATORS OF THE SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-01-13 WO disclosed
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed
WO-2008060568-A2 AMIDE-SUBSTITUTED ARYL PIPERIDINES NEUROGEN CORPORATION (US) 2008-05-22 WO disclosed
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition BIONDI RICARDO M 2007-02-08 US disclosed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
CN-1286834-C Benzothiazoles compound HOFFMANN LA ROCHE CO LTD (CH) 2006-11-29 CN disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
CN-1602310-A Benzothiazoles compound HOFFMANN LA ROCHE (CH) 2005-03-30 CN disclosed
EP-1456202-A1 BENZOTHIAZOLES F. Hoffman-la Roche AG (CH) 2004-09-15 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 US disclosed
WO-2003053961-A1 BENZOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
US-4690934-A N-phenylsulfonylisonicotinamide derivatives and their use as fungicides or bactericides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1987-09-01 US 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 (3 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-20070032474-A1 Use of a compound of formula 1 for making a pharmaceutical composition CYP7A1, UGT1A1, CYP2F1 ALDH1A1 319/4885KDM4E 3975/4885TAS1R3 2569/4885
US-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B ALDH1A1 89/4885KDM4E 3008/4885TAS1R3 240/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 ALDH1A1 1865/4885KDM4E 3044/4885TAS1R3 1304/4885

“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.