SCHEMBL4768903

SCHEMBL4768903

CCCCc1ccccc1C(N)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.44
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 2/20 0.40
TLR8 Q9NR97 1/20 0.39
MEN1 O00255 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
TYR P14679 1/20 0.38
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2081561 0.95 LIPG (0.51) LIPGCYP3A4KMT2ATLR8MEN1
SCHEMBL7889302 0.93 LIPG (0.54) LIPGCYP3A4KMT2AMEN1NR1I2
SCHEMBL7899209 0.93 LIPG (0.54) LIPGCYP3A4KMT2AMEN1NR1I2
Iodide SCHEMBL8515618 0.91 LIPG (0.53) LIPGCYP3A4KMT2AMEN1NR1I2
SCHEMBL7896315 0.89 KMT2A (0.42) LIPGCYP3A4KMT2ALMNAMAPT
SCHEMBL9791249 0.83 LIPG (0.46) LIPGCYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL7085183 0.81 LIPG (0.44) LIPGCYP3A4CYP2D6CYP2C9TLR8
SCHEMBL1002853 0.81 MAPT (0.53) LIPGCYP3A4KMT2AMEN1NR1I2
SCHEMBL5511463 0.81 CYP3A4 (0.45) LIPGCYP3A4CYP2D6CYP2C9KMT2A
SCHEMBL18929919 0.81 LIPG (0.44) LIPGCYP3A4CYP2D6CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801861-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2017-10-31 US disclosed
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2016-08-25 US disclosed
US-9353072-B2 Antimicrobial substituted thiazoles and methods of use PURDUE RESEARCH FOUNDATION (US) 2016-05-31 US disclosed
US-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2014-05-01 US disclosed
CN-100475810-C Novel 2-arylthiazole compounds as pparalpha and ppargamma agonists HOFFMANN LA ROCHE (CH) 2009-04-08 CN disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
CN-1678596-A Novel 2-arylthiazole compounds as PPAR alpha and PPAR gamma agonists HOFFMANN LA ROCHE (CH) 2005-10-05 CN disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP 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-20140121249-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 LIPG 2909/4885CYP3A4 1337/4885CYP2D6 760/4885
US-20160243088-A1 ANTIMICROBIAL SUBSTITUTED THIAZOLES AND METHODS OF USE CLPP, ELANE, NOD2 LIPG 2909/4885CYP3A4 1337/4885CYP2D6 760/4885

“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.