SCHEMBL20042629

SCHEMBL20042629

c1ccc(-c2nc3ccccc3nc2-n2c3ccc4ccccc4c3c3c4ccccc4c4c(sc5ccc6ccccc6c54)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
PRNP P04156 1/20 0.33
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
PDE10A Q9Y233 1/20 0.30

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
SCHEMBL18877078 0.93 CASP1 (0.34) CASP1HSD17B10HRH4PRNPRXFP1
SCHEMBL19544386 0.92 HSD17B10 (0.34) CASP1HSD17B10HRH4PRNPRXFP1
SCHEMBL19544383 0.90 HSD17B10 (0.33) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL21709121 0.88 CASP1 (0.34) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL19544382 0.85 TP53 (0.32) RXFP1ALDH1A1HTTHPGDPDE10A
SCHEMBL16856047 0.85 HSD17B10 (0.35) CASP1HSD17B10HRH4PRNPRXFP1
SCHEMBL19544063 0.85 PTGES (0.32) KDM4E
SCHEMBL24036851 0.84 HSD17B10 (0.39) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL22479780 0.84 CASP1 (0.34) CASP1HSD17B10HRH4RXFP1KDM4E
SCHEMBL20989138 0.84 L3MBTL1 (0.36) KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2018-04-12 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-20180102486-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF PIEZO1, ORAI2, TRPV2 CASP1 1837/4885HSD17B10 4538/4885HRH4 4114/4885

“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.