SCHEMBL2702174

SCHEMBL2702174

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RXFP1 Q9HBX9 1/20 0.42
KDR P35968 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
BAZ1A Q9NRL2 1/20 0.38
PDK1 Q15118 1/20 0.38
AR P10275 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 3/20 0.37

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
SCHEMBL2701616 0.86 KDR (0.41) KDREPHX1SMN1; SMN2NPSR1PDK1
SCHEMBL2702150 0.86 AR (0.39) KDREPHX1SMN1; SMN2NPSR1PDK1
SCHEMBL2703380 0.84 F2R (0.41) KDRSMN1; SMN2NPSR1PDK1AR
SCHEMBL2702110 0.83 TDP1 (0.51) TDP1POLBL3MBTL1RXFP1RECQL
SCHEMBL9269418 0.80 TDP1 (0.49) TDP1POLBL3MBTL1RXFP1RECQL
SCHEMBL202023 0.79 KDR (0.68) KDRSMN1; SMN2NPSR1PDK1HTT
SCHEMBL201743 0.79 EPHX1 (0.63) TDP1POLBL3MBTL1RXFP1KDR
SCHEMBL13199797 0.77 LMNA (0.57) KDREPHX1ARMAPTLMNA
SCHEMBL13199794 0.77 LMNA (0.57) KDREPHX1ARMAPTLMNA
SCHEMBL2704052 0.77 LMNA (0.57) KDREPHX1ARMAPTLMNA

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309603-B2 SARMs and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2012-11-13 US disclosed
US-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 US disclosed
US-8080682-B2 Substituted acylanilides and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2011-12-20 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-20100249228-A1 SARMS AND METHOD OF USE THEREOF UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2010-09-30 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-7772433-B2 SARMS and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-08-10 US disclosed
US-7645898-B2 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-01-12 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
US-20080076829-A1 Substituted acylanilides and methods of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-03-27 US disclosed
US-20080057068-A1 SARMS and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2008-03-06 US disclosed
US-20070173546-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-26 US disclosed
US-20070161608-A1 Selective androgen receptor modulators for treating muscle wasting UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-07-12 US disclosed
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2007-05-31 US disclosed
US-7186854-B2 Process for making bicalutamide and intermediates thereof SYNTHON IP INC. (US) 2007-03-06 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 (8 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-20070173546-A1 Selective androgen receptor modulators and method of use thereof AR, SHBG, ESRRA TDP1 3175/4885POLB 2764/4885L3MBTL1 1606/4885
US-20080076829-A1 Substituted acylanilides and methods of use thereof CPT1B, MTPN, MUSK TDP1 2258/4885POLB 2247/4885L3MBTL1 88/4885
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 TDP1 4079/4885POLB 3475/4885L3MBTL1 4796/4885
US-20080057068-A1 SARMS and method of use thereof SARM1, CKMT1A; CKMT1B, TNNI3 TDP1 3216/4885POLB 3429/4885L3MBTL1 385/4885
US-20070123563-A1 Selective androgen receptor modulators and method of use thereof AR, SHBG, ESRRA TDP1 3175/4885POLB 2764/4885L3MBTL1 1606/4885
US-20070161608-A1 Selective androgen receptor modulators for treating muscle wasting AR, ESRRA, SHBG TDP1 3500/4885POLB 3203/4885L3MBTL1 1200/4885
US-20100249228-A1 SARMS AND METHOD OF USE THEREOF CPT1B, FABP4, SARM1 TDP1 3415/4885POLB 2778/4885L3MBTL1 1442/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 TDP1 4079/4885POLB 3475/4885L3MBTL1 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.