SCHEMBL2701360

SCHEMBL2701360

[C-]#[N+]c1ccc(NC(=O)C2(C)CC(c3ccc(NC(C)=O)cc3)=NN2)cc1[N+]#[C-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
KDM4E B2RXH2 5/20 0.35
MAPT P10636 5/20 0.35
HPGD P15428 4/20 0.35
RXFP1 Q9HBX9 2/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2701148 0.89 ABL1 (0.34) HDAC1SMN1; SMN2HTTL3MBTL1NISCH
SCHEMBL2704154 0.81 HDAC1 (0.37) HDAC1SMN1; SMN2L3MBTL1ALDH1A1KMT2A
SCHEMBL2979287 0.80 L3MBTL1 (0.47) SMN1; SMN2HTTL3MBTL1NISCHALDH1A1
SCHEMBL2701055 0.80 CSNK1D (0.38) HDAC1MAPTRXFP1TP53POLB
SCHEMBL202338 0.80 ALDH1A1 (0.47) SMN1; SMN2HTTL3MBTL1NISCHALDH1A1
SCHEMBL2702386 0.78 SMN1; SMN2 (0.36) SMN1; SMN2HTTKMT2AMEN1MAPT
SCHEMBL2702460 0.78 AR (0.35) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL202639 0.77 MAPT (0.46) MAPT
SCHEMBL2704059 0.76 CSNK1D (0.37) HDAC1SMN1; SMN2MAPTPDE3BPDE3A
SCHEMBL201907 0.75 PLA2G7 (0.42) CYP2C19

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 HDAC1 140/4885SMN1; SMN2 4074/4885HTT 2508/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 HDAC1 140/4885SMN1; SMN2 4074/4885HTT 2508/4885

“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.