SCHEMBL203520

SCHEMBL203520

CNN=Cc1ccc(NC(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.67
RAB9A P51151 7/20 0.58
ESRRG P62508 1/20 0.57
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 2/20 0.55
DDX3X O00571 1/20 0.55
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
HPGD P15428 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50

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
SCHEMBL203519 1.00 NOX1 (0.67) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL11746811 0.83 NOX1 (0.63) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL5776498 0.81 NOX1 (0.61) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL5776502 0.81 NOX1 (0.61) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL201418 0.81 NOX1 (0.61) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL19449695 0.81 RAB9A (0.62) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL201419 0.81 NOX1 (0.61) NOX1RAB9AESRRGNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL17560925 0.80 RAB9A (0.60) NOX1RAB9AESRRGNPC1SMN1; SMN2
SCHEMBL7996474 0.80 NOX1 (0.59) NOX1RAB9AESRRGNPC1SMN1; SMN2
Amithiozone SCHEMBL42515 0.79 RAB9A (0.67) NOX1RAB9AESRRGNPC1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
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
EP-1817292-A2 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-15 EP disclosed
US-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
WO-2006055184-A2 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-26 WO 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 (3 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-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) AR, NR5A1, NR5A2 NOX1 4468/4885RAB9A 3036/4885ESRRG 24/4885
US-20090131365-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 NOX1 4468/4885RAB9A 3036/4885ESRRG 24/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 NOX1 4468/4885RAB9A 3036/4885ESRRG 24/4885

“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.