SCHEMBL196775

SCHEMBL196775

Clc1cc(-c2ccccc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CNR1 P21554 1/20 0.42
ALAD P13716 1/20 0.41
DAO P14920 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP2E1 P05181 1/20 0.39
CYP2B6 P20813 1/20 0.39
ESR2 Q92731 1/20 0.39
NOTUM Q6P988 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL4454092 0.77 HSD17B1 (0.50) ALADESR2MEN1KMT2ASMN1; SMN2
SCHEMBL7915311 0.73 HSD17B1 (0.61) ALDH1A1HDAC6CNR1CYP2A6CYP2E1
SCHEMBL5695918 0.71 ALDH1A1 (0.43) ALDH1A1HDAC6CNR1ALADCYP2A6
SCHEMBL2897323 0.71 ALDH1A1 (0.45) ALDH1A1HDAC6CNR1CYP2A6CYP2E1
SCHEMBL927627 0.71 ALDH1A1 (0.44) ALDH1A1HDAC6CNR1ALADCYP2A6
SCHEMBL921077 0.71 HDAC6 (0.47) ALDH1A1HDAC6CNR1CYP2A6CYP2E1
SCHEMBL883778 0.71 ALDH1A1 (0.44) ALDH1A1HDAC6CNR1DAOCYP2A6
SCHEMBL3996554 0.71 CNR1 (0.46) ALDH1A1HDAC6CNR1CYP2A6CYP2E1
Hydrochloric Acid SCHEMBL15910915 0.70 ALDH1A1 (0.44) ALDH1A1HDAC6CNR1CYP2A6CYP2E1
SCHEMBL8588923 0.70 HDAC6 (0.42) ALDH1A1HDAC6CNR1ALADCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880045-A Compound for organic photoelectric device, the composition for organic photoelectric device and organic photoelectric device and display device 三星SDI株式会社 2018-04-06 CN disclosed
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
CN-101945839-A Process for producing conjugated aromatic compound SUMITOMO CHEMICAL CO 2011-01-12 CN disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
EP-2233459-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-09-29 EP disclosed
CN-101827854-A Transition metal complex and method for producing conjugated aromatic compound using same SUMITOMO CHEMICAL CO 2010-09-08 CN disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
CN-101772508-A Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL CO 2010-07-07 CN disclosed
EP-2192124-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND WITH THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-06-02 EP disclosed
EP-2172470-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX Sumitomo Chemical Company, Limited (JP) 2010-04-07 EP disclosed
EP-1349861-A1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055524-A1 THIENO(3,2-d)PYRIMIDINES AND FURANO(3,2-d)PYRIMIDINES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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 (4 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 CYP1A2 108/4885ALDH1A1 46/4885HDAC6 628/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 CYP1A2 191/4885ALDH1A1 974/4885HDAC6 1309/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 CYP1A2 228/4885ALDH1A1 1092/4885HDAC6 1754/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR CYP1A2 856/4885ALDH1A1 816/4885HDAC6 91/4885

“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.