SCHEMBL2701140

SCHEMBL2701140

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

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
RORC P51449 3/20 0.34
CSNK1D P48730 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 8/20 0.33
GAA P10253 1/20 0.33
S1PR1 P21453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 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
SCHEMBL2701146 0.92 S1PR1 (0.35) MAPTRORCCSNK1DLMNAMEN1
SCHEMBL2702584 0.92 AR (0.35) MAPTRORCCSNK1DLMNAAR
SCHEMBL2702548 0.91 MAPT (0.34) MAPTRORCCSNK1DLMNAAR
SCHEMBL2703853 0.91 CSNK1D (0.34) MAPTRORCCSNK1DLMNAALDH1A1
SCHEMBL2703653 0.90 RORC (0.33) MAPTRORCCSNK1DLMNAALDH1A1
SCHEMBL2702810 0.87 HSD17B10 (0.35) MAPTRORCARABL1BCR
SCHEMBL2702204 0.87 MAPT (0.36) MAPTCSNK1DLMNAARGAA
SCHEMBL2702526 0.87 MAPT (0.36) MAPTCSNK1DLMNAARGAA
SCHEMBL2702209 0.87 MAPT (0.38) MAPTCSNK1DLMNAMEN1KMT2A
SCHEMBL2701404 0.87 MAPT (0.36) MAPTCSNK1DLMNAARGAA

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 2544/4885RORC 66/4885CSNK1D 488/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 MAPT 2544/4885RORC 66/4885CSNK1D 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.