SCHEMBL2255305

SCHEMBL2255305

Nc1[c]cc2cc3ccccc3cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
HBB P68871 2/20 0.48
HIF1A Q16665 2/20 0.48
ALOX15 P16050 1/20 0.48
PDPK1 O15530 1/20 0.35
CYP2A6 P11509 2/20 0.34
IDO1 P14902 1/20 0.32
HTR3A P46098 1/20 0.32
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
MAPT P10636 1/20 0.32
ACHE P22303 1/20 0.32
TP53 P04637 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL408287 0.91 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CASP1
Benz(B)Anthracene SCHEMBL21670383 0.74 ALDH1A1 (0.58) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL1557253 0.73 CYP2A6 (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL2700600 0.73 CYP2A6 (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL4838243 0.73 CYP2A6 (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL2253565 0.72 CYP1A2 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL871457 0.72 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL5747767 0.71 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL3798534 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL22634171 0.71 ALDH1A1 (0.61) ALDH1A1HSD17B10CYP3A4TDP1CASP1

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 1104/4885HSD17B10 147/4885CYP3A4 163/4885

“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.