SCHEMBL2253192

SCHEMBL2253192

COc1cccc2cc3[c]cccc3cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDGFRB P09619 2/20 0.36
RXRA P19793 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
NQO2 P16083 1/20 0.35
ACHE P22303 5/20 0.35
BCHE P06276 4/20 0.35
KMT2A Q03164 1/20 0.35
FLT3 P36888 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34

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
SCHEMBL2256014 0.93 KDM4E (0.46) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2256317 0.83 CYP2A6 (0.37) ALDH1A1KDM4ELMNAKMT2ACA12
SCHEMBL8393507 0.82 NQO1 (0.67) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29919905 0.82 NQO1 (0.67) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2386165 0.80 PDGFRB (0.43) NQO1ALDH1A1KDM4EHPGDPDGFRB
SCHEMBL2254253 0.79 MCHR1 (0.45)
SCHEMBL1310416 0.79 CYP1A2 (0.47) ALDH1A1HPGDHSD17B10
SCHEMBL383902 0.77 CA1 (0.41) NQO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2256151 0.76 TLR8 (0.38) ALDH1A1KDM4ELMNAKMT2ACA12
SCHEMBL30949381 0.76 NQO1 (0.72) NQO1ALDH1A1KDM4EHPGDHSD17B10

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 7 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
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
US-20090127491-A1 THIOPHENE COMPOUND HAVING SULFONYL GROUP AND PROCESS FOR PRODUCING THE SAME NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 US 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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 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 NQO1 2363/4885ALDH1A1 1104/4885KDM4E 2440/4885

“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.