SCHEMBL10185631

SCHEMBL10185631

[C-]#[N+]c1cccc(-c2ccc(O)c(-c3cn(C4CCCCO4)nc3[N+](=O)[O-])c2)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
MCL1 Q07820 1/20 0.30
ABL1 P00519 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
SCHEMBL1690637 0.85 FGFR1 (0.37)
SCHEMBL327539 0.85 GPR84 (0.34)
SCHEMBL320094 0.80 CYP4F2 (0.35) ABL1
SCHEMBL323521 0.80 IDO1 (0.36)
SCHEMBL1094302 0.78 MEN1 (0.37) ABL1
SCHEMBL17610374 0.76 ATR (0.35) RXRARXRBRXRGMCL1ABL1
SCHEMBL320305 0.76 TLR2 (0.35) ABL1
SCHEMBL319862 0.66 ALDH1A1 (0.37) ABL1
SCHEMBL15464452 0.66
SCHEMBL9912468 0.66 CYP1A2 (0.35) ABL1

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-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E RXRA 1182/4885RXRB 1405/4885RXRG 1732/4885

“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.