SCHEMBL2250267

SCHEMBL2250267

CN(C)c1c2c[c]ccc2cc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
HPGD P15428 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTR2A P28223 1/20 0.32
CYP2A6 P11509 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
ERBB2 P04626 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 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
SCHEMBL2252168 0.90 L3MBTL1 (0.35) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL9821944 0.83 ALDH1A1 (0.44) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL2256411 0.80 ALDH1A1 (0.33) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL12566478 0.77 ALDH1A1 (0.48) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL2701042 0.77 CYP1A2 (0.41) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL2251091 0.73 ALDH1A1 (0.39) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL27642965 0.73 ALDH1A1 (0.35) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL2253620 0.72 KDM4E (0.47) CYP1A2ALDH1A1HSD17B10HPGDCYP2A6
SCHEMBL5749295 0.72 HTR2A (0.44) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1
SCHEMBL2252060 0.72 KDM4E (0.36) CYP1A2ALDH1A1HSD17B10HPGDL3MBTL1

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 5 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

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 CYP1A2 249/4885ALDH1A1 1104/4885HSD17B10 147/4885

“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.