SCHEMBL25637792

SCHEMBL25637792

COc1ccc(CNc2ccc([N+](=O)[O-])c(OC)n2)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.49
CYP3A4 P08684 16/20 0.49
CYP2C19 P33261 14/20 0.49
CYP2D6 P10635 14/20 0.49
TSHR P16473 13/20 0.49
USP2 O75604 10/20 0.49
CLK4 Q9HAZ1 8/20 0.49
LMNA P02545 6/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
HSD17B10 Q99714 5/20 0.47
MAPK1 P28482 4/20 0.47
CYP2C9 P11712 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 6/20 0.47
ALOX15 P16050 5/20 0.47
GLA P06280 3/20 0.47
APLNR P35414 1/20 0.47
CASP7 P55210 1/20 0.47
NPC1 O15118 1/20 0.44

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
SCHEMBL21104428 0.86 MAPT (0.44) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL13731823 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL13733067 0.85 MAPT (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL13733770 0.82 MAPT (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL13733774 0.82 MAPT (0.45) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27891369 0.80 APLNR (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL1082046 0.77 MAPK8 (0.50) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL23536009 0.77 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL3832046 0.77 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL15472311 0.76 MAPT (0.47) CYP1A2CYP3A4CYP2C19LMNAKMT2A

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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 US disclosed
US-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS QILU PHARMACEUTICAL CO LTD (CN) 2023-06-22 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-20230192734-A1 TRICYCLIC COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 CYP1A2 2281/4885CYP3A4 3056/4885CYP2C19 698/4885

“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.