SCHEMBL19082473

SCHEMBL19082473

Brc1ccc2sc3c(ccc4c3sc3ccc5ccccc5c34)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 2/20 0.37
EPM2A O95278 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.37
NQO1 P15559 1/20 0.36
NQO2 P16083 1/20 0.36
HPRT1 P00492 1/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 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
SCHEMBL30960396 0.89 CYP2A6 (0.42) CYP2A6RXFP1MEN1KMT2APTPN1
SCHEMBL17383062 0.89 CYP2A6 (0.42) CYP2A6RXFP1MEN1KMT2APTPN1
SCHEMBL17383069 0.87 CYP2A6 (0.44) CYP2A6RXFP1MEN1KMT2APTPN1
SCHEMBL30960394 0.87 CYP2A6 (0.44) CYP2A6RXFP1MEN1KMT2APTPN1
SCHEMBL19082501 0.85 EPM2A (0.40) CYP2A6RXFP1MEN1KMT2APTPN1
SCHEMBL2606564 0.84 GPR3 (0.46) CYP2A6MEN1KMT2ANQO1NQO2
SCHEMBL13789873 0.83 HPRT1 (0.48) CYP2A6PTPN22NQO1NQO2HPRT1
SCHEMBL17275796 0.83 CYP2A6 (0.42) CYP2A6RXFP1MEN1KMT2APTPN1
SCHEMBL10227293 0.82 EPM2A (0.44) CYP2A6PTPN1EPM2APTPN2PTPN22
SCHEMBL18665991 0.81 GPR3 (0.43) CYP2A6RXFP1MEN1KMT2APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US disclosed
US-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-07-06 US 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-20170194572-A1 CONDENSED CYCLIC COMPOUND AND AN ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNT1 CYP2A6 2198/4885RXFP1 3304/4885MEN1 277/4885

“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.