SCHEMBL6174178

SCHEMBL6174178

CCC(=O)c1ccc(Br)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.48
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.43
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 2/20 0.40
DGAT1 O75907 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
CES2 O00748 1/20 0.39
GALR3 O60755 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL27890046 0.85 HSP90AB1 (0.43) HSP90AB1KMT2AL3MBTL1GAAPOLB
SCHEMBL22614748 0.82 HSP90AB1 (0.47) HSP90AB1HPGDKMT2AL3MBTL1GAA
SCHEMBL14799647 0.82 HSP90AB1 (0.47) HSP90AB1HPGDKMT2AL3MBTL1GAA
SCHEMBL27306343 0.82 HSP90AB1 (0.67) HSP90AB1KMT2AGAAPOLBMAPT
SCHEMBL7534898 0.82 HSP90AB1 (0.67) HSP90AB1HPGDKMT2AGAAPOLB
SCHEMBL30863507 0.82 HSP90AB1 (0.67) HSP90AB1HPGDKMT2AGAAPOLB
SCHEMBL1922044 0.82 HSP90AB1 (0.47) HSP90AB1KMT2AGAAPOLBMAPT
SCHEMBL4000497 0.82 GSK3B (0.52) HPGDKMT2AL3MBTL1GAAMAPT
SCHEMBL9040421 0.81 KDM4E (0.47) HSP90AB1HPGDKMT2AL3MBTL1GAA
SCHEMBL5952920 0.81 F2R (0.48) HSP90AB1L3MBTL1POLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632130-A Oxadiazole compound and application thereof to preparation of medicament for preventing and/or treating type 2 diabetes 中国科学院海洋研究所 2017-05-10 CN disclosed
CN-105801571-A Heterocyclic difluoromethylated oxirane compound and preparation method thereof 上海大学 2016-07-27 CN disclosed
CN-105164125-A 2-phenyl or 2-heteroaryl imidazo [1, 2-a ] pyridine derivatives HOFFMANN LA ROCHE 2015-12-16 CN disclosed
CN-105164113-A Pyrroloamide inhibitors ABBVIE INC 2015-12-16 CN disclosed
CN-104860931-A Hepatitis C virus inhibitors and pharmaceutical uses thereof CHANGZHOU YINSHENG PHARMACEUTICAL CO LTD 2015-08-26 CN disclosed
CN-104349865-A Solder paste MITSUBISHI MATERIALS CORP 2015-02-11 CN disclosed
CN-102803249-B Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2014-09-10 CN disclosed
CN-103370318-A Substituted imidazopyridazines BAYER IP GMBH 2013-10-23 CN disclosed
CN-103347878-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-10-09 CN disclosed
CN-103249730-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2013-08-14 CN disclosed
EP-1244649-B1 CYCLIC AMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS ICOS CORP (US) 2005-03-02 EP disclosed
CN-1554767-A Process for preparing chiral medicine intermediate (R)-2-halogen-1-(substituted phenyl) ethanol 天津南开戈德集团有限公司 2004-12-15 CN disclosed
CN-1541214-A Novel compounds 2004-10-27 CN disclosed
US-6444671-B1 INFLAMMATORY DISEASES, DISEASES WITH ELEVATED LEVELS OF CYTOKINES, CENTRAL NERVOUS SYSTEM DISORDERS; INDAZOLES; (1S)-1-((3S,4S)-4-(1-CYCLOPENTYL-3-ETHYL(1H-INDAZOL-6-YL))-3-METHYL-1 -BENZYLPYRROLIDIN-3-YL) ETHAN-1-OL ICOS CORPORATION 2002-09-03 US disclosed
CN-1358123-A Solder paste, soldering method using said solder paste and jointed product prepared by said soldering method SHOWA DENKO KK (JP) 2002-07-10 CN disclosed
US-20020044963-A1 Cyclic AMP-specific phosphodiesterase inhibitors ICOS CORPORATION, A WASHINGTON CORPORATION 2002-04-18 US disclosed
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents ANDO KAZUO (JP) 2002-04-18 US disclosed
US-6362213-B1 ANTIINFLAMMATORY AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS ICOS CORPORATION 2002-03-26 US disclosed
CN-1067999-C Anti-helicobacter heterocyclic derivatives of azolines JANSSEN PHARMACEUTICA NV (BE) 2001-07-04 CN disclosed
CN-1152310-A Anti-helicobacter heterocyclic derivatives of azolines JANSSEN PHARMACEUTICA NV (BE) 1997-06-18 CN 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 (2 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-20020044963-A1 Cyclic AMP-specific phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C HSP90AB1 1306/4885HPGD 235/4885KMT2A 3905/4885
US-20020045654-A1 Sulfonylbenzene compounds as anti-inflammatory/analgesic agents CNR1, PTGER1, PTGS1 HSP90AB1 1223/4885HPGD 924/4885KMT2A 2993/4885

“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.