SCHEMBL2412433

SCHEMBL2412433

ClCc1ccc2cc(Cl)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
PDE10A Q9Y233 1/20 0.44
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
FAAH O00519 1/20 0.42
BACE1 P56817 2/20 0.41
CYP2A6 P11509 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KMT2A Q03164 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
DYRK1A Q13627 2/20 0.37
NR4A2 P43354 1/20 0.37
NOS1 P29475 1/20 0.37
GFER P55789 1/20 0.37
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
TEC P42680 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL3276372 0.86 NR4A2 (0.47) PDE10AHTR3ACYP2A6HRH3KMT2A
SCHEMBL201434 0.82 CCR1 (0.47) HDAC1HDAC2PDE10AHTR3AHRH4
SCHEMBL5103462 0.82 HDAC1 (0.46) HDAC1HDAC2PDE10AHTR3AHRH4
SCHEMBL7808149 0.82 HDAC1 (0.49) HDAC1HDAC2PDE10AHTR3AHRH4
SCHEMBL9022559 0.82 PDE10A (0.46) HDAC1HDAC2PDE10AHTR3AHRH4
SCHEMBL14127821 0.79 PDE10A (0.50) HDAC1HDAC2PDE10AHTR3AHRH4
SCHEMBL27529644 0.79 PDE10A (0.47) HDAC1HDAC2PDE10AHTR3AHRH4
SCHEMBL2921137 0.78 PLAU (0.57) HTR3ABACE1HRH3KMT2ADYRK1A
SCHEMBL1724199 0.78 CYP1A2 (0.57) BACE1CYP2A6KMT2APDE3BPDE3A
SCHEMBL1420330 0.78 BACE1 (0.53) HDAC1HDAC2PDE10ABACE1CYP2A6

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
US-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof MITSUBISHI PHAMA CORPORATION (JP) 2008-07-10 US disclosed
CN-101068797-A Carboxylic acid derivative containing thiazole ring and pharmaceutical use thereof MITSUBISHI PHARMA CORP (JP) 2007-11-07 CN disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed
EP-0414019-B1 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1996-05-29 EP disclosed
US-5084463-A Cardiovascular disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1992-01-28 US disclosed
EP-0414019-A2 Subsituted N-(quinolin-2-yl-methoxy)benzylsulfonylureas BAYER AG (DE) 1991-02-27 EP disclosed
CN-1045778-A (quinolin-2-ylmethoxy) phenyl-N that replaces, N '-sulfonylurea, its preparation method and the application in medicine thereof BAYER AG (DE) 1990-10-03 CN disclosed
EP-0387610-A2 Substituted (quinolin-2-yl methoxy)phenyl-N,N'-sulphonyl ureas, processes for their preparation and their use in medicines BAYER AG (DE) 1990-09-19 EP disclosed
US-4918081-A Quinoline derivatives and use thereof as antagonists of leukotriene d4 RORER PHARMACEUTICAL CORP. (US) 1990-04-17 US disclosed
WO-1989012629-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 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 (1 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-20080167307-A1 Carboxylic Acid Derivative Containing Thiazole Ring and Pharmaceutical Use Thereof PPARA, PPARD, PPARG HDAC1 454/4885HDAC2 555/4885PDE10A 1169/4885

“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.