SCHEMBL2702500

SCHEMBL2702500

[C-]#[N+]c1ccc(NC(=O)C2(C)CC(C(=O)O)=NN2)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
AR P10275 11/20 0.35
CSNK1D P48730 1/20 0.34
RAF1 P04049 1/20 0.33
LMNA P02545 2/20 0.32
KDR P35968 1/20 0.32
GAA P10253 2/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
BRAF P15056 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
SCHEMBL2701382 0.90 EPHX2 (0.33) MAPTARCSNK1DRAF1LMNA
SCHEMBL2702583 0.89 MAPT (0.36) MAPTARCSNK1DRAF1LMNA
SCHEMBL2702526 0.88 MAPT (0.36) MAPTARCSNK1DLMNAKDR
SCHEMBL2702209 0.88 MAPT (0.38) MAPTARCSNK1DLMNAKDR
SCHEMBL2702204 0.88 MAPT (0.36) MAPTARCSNK1DLMNAKDR
SCHEMBL2701404 0.88 MAPT (0.36) MAPTARCSNK1DLMNAKDR
SCHEMBL2703818 0.87 MAPT (0.36) MAPTARLMNACYP3A4BRAF
SCHEMBL2702588 0.85 MAPT (0.35) MAPTARCSNK1DLMNAKDR
SCHEMBL2703932 0.85 RORC (0.35) MAPTARCSNK1DRAF1LMNA
SCHEMBL2702584 0.85 AR (0.35) MAPTARCSNK1DLMNAKDR

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 MAPT 2544/4885AR 1/4885CSNK1D 488/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MAPT 2544/4885AR 1/4885CSNK1D 488/4885

“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.