SCHEMBL2704154

SCHEMBL2704154

[C-]#[N+]c1ccc(NC(=O)C2(C)CC(c3cccc(NC(C)=O)c3)=NN2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.37
SYK P43405 3/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
NQO2 P16083 1/20 0.35
BACE1 P56817 1/20 0.35
RAF1 P04049 4/20 0.35
BRAF P15056 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34

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 0.92 ABL1 (0.34) HDAC1HSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL2702416 0.86 MKNK1 (0.39) MEN1KMT2AMAPTBRAF
SCHEMBL2704059 0.86 CSNK1D (0.37) HDAC1TP53MAPTBRAFSMN1; SMN2
SCHEMBL2701055 0.86 CSNK1D (0.38) HDAC1TP53POLBMAPT
SCHEMBL202341 0.84 AR (0.41) CDK8
SCHEMBL2702387 0.84 CSNK1D (0.36) HDAC1MAPTCDK8
SCHEMBL2702386 0.84 SMN1; SMN2 (0.36) LMNATP53MEN1KMT2AMAPT
SCHEMBL2702460 0.84 AR (0.35) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2702307 0.83 TP53 (0.35) LMNATP53KDM4EMEN1KMT2A
SCHEMBL2703645 0.83 CSNK1D (0.36) HDAC1LMNAMAPTRAF1BRAF

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 140/4885SYK 4831/4885LMNA 3680/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 HDAC1 140/4885SYK 4831/4885LMNA 3680/4885

“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.