SCHEMBL2702306

SCHEMBL2702306

[C-]#[N+]c1ccc(NC(=O)C2(C)CC(c3ccccc3O)N=N2)cc1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
CSNK1D P48730 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRIN2B Q13224 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
GRM4 Q14833 2/20 0.31
BRAF P15056 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
SCHEMBL202835 0.84 AR (0.41) AR
SCHEMBL2703396 0.84 CSNK1D (0.36) ARMAPTHTTCSNK1DALDH1A1
SCHEMBL2702485 0.83 HTT (0.36) ARMAPTMEN1KMT2ALMNA
SCHEMBL2702525 0.83 MAPT (0.36) ARMAPTLMNACSNK1DSMN1; SMN2
SCHEMBL2702730 0.82 CSNK1D (0.35) ARMAPTCSNK1DSMN1; SMN2RAB9A
SCHEMBL2703948 0.81 TSHR (0.36) ARMAPTMEN1KMT2ALMNA
SCHEMBL2703409 0.81 MAPT (0.35) ARMAPTLMNACSNK1DSMN1; SMN2
SCHEMBL2702216 0.81 MAPT (0.35) ARMAPTLMNAHTTCSNK1D
SCHEMBL2702211 0.81 MAPT (0.37) ARMAPTMEN1KMT2ALMNA
SCHEMBL2704011 0.79 MAPT (0.36) ARMAPTLMNACSNK1DSMN1; SMN2

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 AR 1/4885MAPT 2544/4885MEN1 3896/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885MAPT 2544/4885MEN1 3896/4885

“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.