SCHEMBL1002836

SCHEMBL1002836

NC(=O)c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PARP1 P09874 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SPR P35270 1/20 0.41
SRC P12931 1/20 0.41
KDR P35968 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL366927 0.86 CYP3A4 (0.44) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL4046581 0.84 GRM2 (0.40) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL3922931 0.84 POLB (0.53) ALDH1A1TSHRCYP3A4POLBL3MBTL1
SCHEMBL17351119 0.84 SPR (0.40) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL11252986 0.83 AKR1C4 (0.57) ALDH1A1TSHRHSD17B10CYP3A4POLB
SCHEMBL811037 0.82 LMNA (0.46) TSHRHSD17B10CYP3A4RECQLPOLB
SCHEMBL5173533 0.82 CYP3A4 (0.48) HSD17B10CYP3A4POLBPARP1KMT2A
SCHEMBL15129472 0.81 CYP1A2 (0.38) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL31145307 0.81 L3MBTL1 (0.38) ALDH1A1TSHRHSD17B10POLBL3MBTL1
SCHEMBL17350918 0.81 L3MBTL1 (0.38) ALDH1A1TSHRHSD17B10POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US claimed
EP-2906559-A1 AZAINDOLINES F. Hoffmann-La Roche AG (CH) 2015-08-19 EP claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
WO-2014056871-A1 AZAINDOLINES F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives NEUROGEN CORPORATION 2002-02-28 US claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed

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-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY ALDH1A1 682/4885TSHR 512/4885HSD17B10 3739/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 ALDH1A1 1202/4885TSHR 3325/4885HSD17B10 4544/4885
US-20020025977-A1 N-phenyl benzimidazolecarboxamide and N-phenyl indolecarboxamide derivatives CRHR1, CRHR2, HTR2C ALDH1A1 1438/4885TSHR 196/4885HSD17B10 3794/4885

“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.