SCHEMBL2701567

SCHEMBL2701567

[C-]#[N+]c1ccc(NC(=O)C2(C)CNC(c3ccc(NC(C)=O)cc3)O2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ AR P10275 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ EPHX1 P07099 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TP53 P04637 1/20 0.31

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
SCHEMBL203156 0.84 AR (0.43) AR
SCHEMBL2703181 0.80 LMNA (0.39) LMNAMAP2K1ARKDM4EALDH1A1
SCHEMBL13199794 0.79 LMNA (0.57) LMNAMAP2K1ARALDH1A1EPHX1
SCHEMBL2704052 0.79 LMNA (0.57) LMNAMAP2K1ARALDH1A1EPHX1
SCHEMBL13199797 0.79 LMNA (0.57) LMNAMAP2K1ARALDH1A1EPHX1
SCHEMBL2970074 0.76 HSD17B10 (0.43) KDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL2703122 0.73 LMNA (0.42) LMNAARTP53
SCHEMBL13130536 0.73 MAPT (0.42) LMNAAR
SCHEMBL2701148 0.72 ABL1 (0.34) MAP2K1ARHSD17B10KIF11SMN1; SMN2
SCHEMBL2703807 0.71 PTGS2 (0.37) MAP2K1AR

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 LMNA 3680/4885MAP2K1 3153/4885AR 1/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 LMNA 3680/4885MAP2K1 3153/4885AR 1/4885

“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.

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