SCHEMBL487565

SCHEMBL487565

Clc1cc(CBr)cnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
NPSR1 Q6W5P4 4/20 0.37
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
CHRNB2 P17787 4/20 0.31
CHRNA4 P43681 4/20 0.31
MAPT P10636 1/20 0.31
CHRNB4 P30926 3/20 0.30
CHRNA3 P32297 3/20 0.30

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
SCHEMBL27764275 0.83 ALDH1A1 (0.35) ALDH1A1NPSR1CYP11B1CYP11B2TDP1
SCHEMBL24610550 0.80 CPB2 (0.31) TDP1
SCHEMBL2716190 0.80 CYP11B1 (0.51) ALDH1A1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL487536 0.80 CHRNB2 (0.36) CYP11B1CYP11B2CHRNB2CHRNA4CHRNB4
SCHEMBL1141323 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1CYP11B1CYP11B2TDP1
SCHEMBL30833526 0.79 ALDH1A1 (0.42) ALDH1A1NPSR1CYP11B1CYP11B2TDP1
SCHEMBL29596980 0.78 TLR7 (0.33) CYP11B1CYP11B2
SCHEMBL15164059 0.78 CHRNB2 (0.39) CHRNB2CHRNA4
SCHEMBL487408 0.78 TLR7 (0.33) CYP11B1CYP11B2
SCHEMBL487331 0.78 CYP11B1 (0.33) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049488-B1 N'-CYANO-N-ALKYL HALIDE IMIDE AMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-12-09 EP disclosed
EP-2004636-B1 Substituted enaminocarbonyl compounds used as insecticides BAYER IP GMBH (DE) 2015-04-22 EP disclosed
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
US-8940769-B2 Biaryl benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-01-27 US disclosed
EP-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP disclosed
EP-2054405-B1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAE WOONG PHARMA (KR) 2013-09-18 EP disclosed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US disclosed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US disclosed
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-08-22 US disclosed
US-20040082785-A1 Process for making an aldehyde WYETH 2004-04-29 US disclosed
WO-2004006677-A1 MALONONITRILE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-01-22 WO disclosed
US-6635771-B2 Useful as intermediates in the synthesis of compounds having activity as chemical inhibitors of various phospholipase enzymes, particularly phospholipase A2 WYETH 2003-10-21 US disclosed
US-20030166649-A1 Methods for treating arthritic disorders WYETH 2003-09-04 US disclosed
US-20030158405-A1 Chemical intermediates for making a phospholipase enzyme inhibitors WYETH 2003-08-21 US disclosed
US-20030149029-A1 Methods for treating asthmatic conditions WYETH 2003-08-07 US disclosed
US-20030144282-A1 Inhibitors of cytosolic phospholipase A2 WYETH 2003-07-31 US disclosed
WO-2003048122-A2 INHIBITORS OF CYTOSOLIC PHOSPHOLIPASE A2 WYETH (US) 2003-06-12 WO disclosed
EP-1150952-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-11-07 EP disclosed
WO-2000046196-A1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2000-08-10 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-20030158405-A1 Chemical intermediates for making a phospholipase enzyme inhibitors PLA2R1, PLD1, PLA2G1B ALDH1A1 984/4885NPSR1 722/4885CYP11B1 395/4885
US-20130217684-A1 NOVEL BIARYL BENZOIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TRPV1, TRPV3, TRPA1 ALDH1A1 3932/4885NPSR1 329/4885CYP11B1 1558/4885
US-20030166649-A1 Methods for treating arthritic disorders PLA2G12A, PLA2G4A, PLA2G4B ALDH1A1 304/4885NPSR1 655/4885CYP11B1 760/4885
US-20030149029-A1 Methods for treating asthmatic conditions PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 536/4885NPSR1 768/4885CYP11B1 236/4885
US-20030144282-A1 Inhibitors of cytosolic phospholipase A2 PLA2G4A, PLA2G4B, PLA2G4C ALDH1A1 1910/4885NPSR1 840/4885CYP11B1 1443/4885
US-20040082785-A1 Process for making an aldehyde ALDH7A1, ALDH2, ALDH18A1 ALDH1A1 6/4885NPSR1 3116/4885CYP11B1 392/4885

“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.