SCHEMBL2701616

SCHEMBL2701616

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.41
NPSR1 Q6W5P4 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PDK1 Q15118 1/20 0.38
CSNK1D P48730 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
XBP1 P17861 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
AR P10275 3/20 0.35
HTT P42858 3/20 0.35
EPHX1 P07099 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 2/20 0.34
CES2 O00748 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
SCHEMBL2702174 0.86 TDP1 (0.46) KDRNPSR1SMN1; SMN2PDK1CSNK1D
SCHEMBL2702150 0.83 AR (0.39) KDRNPSR1SMN1; SMN2PDK1CSNK1D
SCHEMBL2703380 0.81 F2R (0.41) KDRNPSR1SMN1; SMN2PDK1CSNK1D
SCHEMBL202266 0.76 AR (0.52) ARCYP2C19
SCHEMBL13130536 0.74 MAPT (0.42) KDRCSNK1DMAPTLMNAAR
SCHEMBL12422525 0.73 AR (0.53) AR
SCHEMBL13130535 0.73 AR (0.53) AR
SCHEMBL13199797 0.72 LMNA (0.57) KDRCSNK1DMAPTLMNAAR
SCHEMBL13199794 0.72 LMNA (0.57) KDRCSNK1DMAPTLMNAAR
SCHEMBL2704052 0.72 LMNA (0.57) KDRCSNK1DMAPTLMNAAR

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 KDR 840/4885NPSR1 297/4885SMN1; SMN2 4074/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 KDR 840/4885NPSR1 297/4885SMN1; SMN2 4074/4885

“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.