SCHEMBL2704471

SCHEMBL2704471

[C-]#[N+]c1cc(SCC)c(NC(=O)C(=C)C)cc1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DDR1 Q08345 2/20 0.32
CCR2 P41597 1/20 0.32
HTT P42858 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL2703641 0.85 POLB (0.34) POLBTDP1L3MBTL1
SCHEMBL2704310 0.83 TDP1 (0.36) POLBTDP1L3MBTL1HTT
SCHEMBL2703738 0.80 POLB (0.37) POLBTDP1L3MBTL1HTT
SCHEMBL2702894 0.80 TDP1 (0.37) POLBTDP1L3MBTL1
SCHEMBL201872 0.80 AR (0.41)
SCHEMBL2701689 0.78 POLB (0.43) POLBTDP1L3MBTL1
SCHEMBL2703022 0.77 AR (0.35) POLBTDP1L3MBTL1
SCHEMBL2702174 0.72 TDP1 (0.46) POLBTDP1L3MBTL1HTT
SCHEMBL2702909 0.68 TDP1 (0.36) POLBTDP1L3MBTL1
SCHEMBL2702150 0.64 AR (0.39) HTT

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 POLB 3475/4885TDP1 4079/4885L3MBTL1 4796/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 POLB 3475/4885TDP1 4079/4885L3MBTL1 4796/4885

“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.