SCHEMBL1477083

SCHEMBL1477083

Cc1sc2ccccc2c1CCl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FTO Q9C0B1 1/20 0.51
GPR3 P46089 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15450945 0.83 CYP1A2 (0.51) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL15241841 0.82 CYP2D6 (0.50) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL15241842 0.82 CYP2D6 (0.50) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL1093180 0.79 CYP2D6 (0.51) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL12750479 0.79 CYP2D6 (0.48) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL9270189 0.79 CYP1A2 (0.48) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL15573159 0.77 TSHR (0.47) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL9111923 0.77 CYP2D6 (0.47) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL5440971 0.77 GPR3 (0.40) CYP1A2CYP2D6TSHRNFKB1HSD17B10
SCHEMBL9269462 0.76 KDM4E (0.52) CYP1A2CYP2D6TSHRNFKB1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
WO-2019016269-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2019-01-24 WO disclosed
US-20150184307-A1 SILVER ELECTROPLATING SOLUTION DAIWA FINE CHEMICALS CO., LTD. (LABORATORY) (JP) 2015-07-02 US disclosed
EP-2881497-A1 ELECTROSILVER PLATING FLUID Daiwa Fine Chemicals Co., Ltd. (JP) 2015-06-10 EP disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-7915280-B2 Compounds and their uses EISAI INC. (US) 2011-03-29 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-7235557-B2 Compounds and their uses MGI GP, INC. (US) 2007-06-26 US disclosed
US-20060142266-A1 Compounds and their uses MGI GP, INC. (US) 2006-06-29 US disclosed
US-20060003987-A1 Compounds and their uses GUILFORD PHARMACEUTICALS, INC. (US) 2006-01-05 US disclosed
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury GUILFORD PHARMACEUTICALS INC. (US) 2005-07-07 US disclosed
US-6887996-B2 Poly(adenosine 5'-diphospho-ribose) polymerase (PARP) inhibitors; compounds based on thieno(4,3,2-ef)(2)benzazepin-6-one GUILFORD PHARMACEUTICALS INC. (US) 2005-05-03 US disclosed
EP-1339402-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2003-09-03 EP disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 US disclosed
WO-2002044183-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO disclosed
US-5468874-A Optical color filters, masking and display materials; high contrast, stable color developing or extinction MITA INDUSTRIAL CO., LTD. (JP) 1995-11-21 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 (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-20030022883-A1 Compounds and their use PARP1, PARP2, PARP3 CYP1A2 1842/4885CYP2D6 977/4885TSHR 4788/4885
US-20060003987-A1 Compounds and their uses PARP1, PARP2, PARP3 CYP1A2 2260/4885CYP2D6 1429/4885TSHR 4772/4885
US-20050148575-A1 (Di)Azepino[5,4,3-cd]benzothiophenes; poly(ADP-ribose) polymerase (PARP) and glycohydrolase (PARG) inhibitor; antiinflammatory; protects cells, tissue and organs against the ill-effects of reactive free radicals and nitric oxide, and damage following focal ischemia and reperfusion injury PARP1, PARP11, PARP15 CYP1A2 641/4885CYP2D6 1304/4885TSHR 4156/4885
US-20060142266-A1 Compounds and their uses PARP1, PARP2, PARP3 CYP1A2 2260/4885CYP2D6 1429/4885TSHR 4772/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 CYP1A2 292/4885CYP2D6 1206/4885TSHR 86/4885

“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.