SCHEMBL4180189

SCHEMBL4180189

Cc1[nH]c2ccc3nc(Cl)cc(C(F)(F)F)c3c2c1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 5/20 0.37
EGFR P00533 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TYMS P04818 2/20 0.32
NPBWR1 P48145 1/20 0.32
HSD17B10 Q99714 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
TRPV1 Q8NER1 3/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HCAR1 Q9BXC0 2/20 0.31
TRPA1 O75762 3/20 0.31
TRPM8 Q7Z2W7 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL4145604 0.73 AR (0.51) AR
SCHEMBL12604801 0.64 AR (0.39) ARHSD17B10HPGD
SCHEMBL27943851 0.63 AR (0.48) SMN1; SMN2ARALDH1A1MAPTKDM4E
SCHEMBL29230410 0.62 MEN1 (0.44) SMN1; SMN2ARALDH1A1MAPTHPGD
SCHEMBL4131665 0.62 AR (0.47) SMN1; SMN2AREGFRALDH1A1HSD17B10
SCHEMBL10914959 0.62 AR (0.44) SMN1; SMN2ARALDH1A1HSD17B10MAPT
SCHEMBL26215545 0.62 BACE1 (0.38) ARTRPV1HCAR1TRPA1TRPM8
SCHEMBL30449773 0.60 BACE1 (0.64) ARALDH1A1GAAMAPTKDM4E
SCHEMBL895250 0.60 BACE1 (0.64) ARALDH1A1GAAMAPTKDM4E
SCHEMBL2852804 0.60 ABCC8 (0.47) SMN1; SMN2ARALDH1A1HSD17B10MAPT

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 SMN1; SMN2 4862/4885AR 1/4885EGFR 327/4885

“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.