SCHEMBL4176624

SCHEMBL4176624

Cc1c(F)c(Cl)nc2c(F)c(F)c3c(c(C)c(C)n3CCCCCCOC3CCCCO3)c12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL4176622 0.68 P2RX3 (0.36) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL16376197 0.63 MEN1 (0.56) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL738953 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL8928066 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL19173031 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL1801722 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL4312808 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL1632799 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL16005690 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL11024894 0.62 MEN1 (0.54) P2RX3MEN1KMT2AL3MBTL1KDM4C

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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods LIGAND PHARMACEUTICALS INCORPORATED 2009-09-10 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-20090227571-A1 Androgen Receptor Modulator Compounds and Methods AR, NR5A1, ESRRA P2RX3 1640/4885MEN1 3667/4885KMT2A 1757/4885

“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.