SCHEMBL4176622

SCHEMBL4176622

Cc1c(C)n(CCCCCCOC2CCCCO2)c2ccc3nc(Cl)cc(C(F)(F)F)c3c12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 10/20 0.36
TGFBR1 P36897 2/20 0.35
TGFBR2 P37173 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PTAFR P25105 1/20 0.32

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
SCHEMBL4177007 0.80 AR (0.39) P2RX3MEN1KMT2A
SCHEMBL4169288 0.80 AR (0.39) P2RX3MEN1KMT2A
SCHEMBL4174159 0.80 AR (0.39) P2RX3MEN1KMT2A
SCHEMBL4187294 0.72 AR (0.49) P2RX3MEN1KMT2A
SCHEMBL4187064 0.72 AR (0.49) P2RX3MEN1KMT2A
SCHEMBL4171499 0.69 AR (0.49) P2RX3
SCHEMBL4176624 0.68 P2RX3 (0.34) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL4174207 0.67 AR (0.36) P2RX3MEN1KMT2AL3MBTL1KDM4C
SCHEMBL4022431 0.65 MEN1 (0.44) P2RX3TGFBR1TGFBR2MEN1KMT2A
SCHEMBL4021549 0.63 MEN1 (0.48) MEN1KMT2AKDM4C

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 1640/4885TGFBR1 532/4885TGFBR2 610/4885

“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.