SCHEMBL2703705

SCHEMBL2703705

[C-]#[N+]c1cc(OC)c(N)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 1/20 0.38
HTR2A P28223 5/20 0.37
HTR2C P28335 4/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 2/20 0.37
THRB P10828 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL3278339 0.78 HTR2A (0.51) L3MBTL1POLBRAB9AGAAHTR2A
SCHEMBL9223859 0.75 HTR2A (0.45) L3MBTL1POLBRAB9AGAAHTR2A
SCHEMBL617667 0.74 GAA (0.55) L3MBTL1POLBRAB9AGAAHTR2A
SCHEMBL13302031 0.74 CFTR (0.37) POLBGAATSHRCFTRAR
SCHEMBL2701796 0.74 GAA (0.39) POLBGAATSHRAR
SCHEMBL2704454 0.73 AR (0.49) CFTRAR
SCHEMBL19927152 0.72 HTR2A (0.45) L3MBTL1POLBRAB9AGAAHTR2A
SCHEMBL2704339 0.71 CA12 (0.33) AR
SCHEMBL30312986 0.70 GAA (0.60) L3MBTL1POLBRAB9AGAAHTR2A
SCHEMBL202125 0.70 AR (0.55) ALDH1A1KDM4EUSP2AR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-7781473-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMS) J & J Pharmaceutical Research & Development, LLC. (US) 2010-08-24 US disclosed
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2009-05-21 US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 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 (2 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-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 L3MBTL1 4796/4885POLB 3475/4885RAB9A 3036/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 L3MBTL1 4796/4885POLB 3475/4885RAB9A 3036/4885

“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.