SCHEMBL2255772

SCHEMBL2255772

Nc1ccc2[c]c3ccccc3cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
CYP3A4 P08684 5/20 0.56
CASP1 P29466 4/20 0.56
HSD17B10 Q99714 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CASP7 P55210 2/20 0.56
HBB P68871 2/20 0.56
HIF1A Q16665 2/20 0.56
ALOX15 P16050 1/20 0.56
HTR3A P46098 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 4/20 0.38
KDM4E B2RXH2 3/20 0.38
PLAU P00749 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
ATM Q13315 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL2258869 0.88 CYP3A4 (0.56) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL24252 0.82 CYP2A6 (0.41) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL28076506 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL14057855 0.78 ESR1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EACHE
SCHEMBL195377 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL15366850 0.76 ALDH1A1 (0.39) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL819816 0.75 CYP2A6 (0.52) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL21385240 0.75 CYP1A2 (0.52) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL27472111 0.75 ALDH1A1 (0.36) ALDH1A1CYP3A4CASP1HSD17B10TDP1
SCHEMBL2255694 0.73 ESR2 (0.42) ALDH1A1HSD17B10ALOX15MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916244-B1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-12-04 EP disclosed
CN-101282959-B Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD 2013-04-17 CN disclosed
EP-1882694-B1 OLIGOMERS AND POLYMERS OF THIOPHENE COMPOUNDS HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL IND LTD (JP) 2013-04-03 EP disclosed
US-8008425-B2 Thiophene compound having sulfonyl group and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-30 US disclosed
CN-102027631-A Dye for dye-sensitized solar cell and dye-sensitized solar cell NISSAN CHEMICAL IND LTD 2011-04-20 CN disclosed
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US disclosed
CN-101282959-A Thiophene compound having sulfonyl group and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-10-08 CN disclosed
CN-101208349-A Thiophene compound having phosphate ester and method for producing same NISSAN CHEMICAL IND LTD (JP) 2008-06-25 CN disclosed
EP-1916244-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-04-30 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 (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-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME TST, ABCG2, CBR3 ALDH1A1 1104/4885CYP3A4 163/4885CASP1 1277/4885

“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.