SCHEMBL202765

SCHEMBL202765

C=C(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 9/20 0.67
CYP3A4 P08684 2/20 0.67
CES2 O00748 1/20 0.67
ABCB11 O95342 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
GLA P06280 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
CYP2C9 P11712 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
TBXA2R P21731 1/20 0.67
AADAC P22760 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
ADRA1A P35348 1/20 0.67
HTT P42858 1/20 0.67
HTR6 P50406 1/20 0.67

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
SCHEMBL6815986 0.86 AR (0.73) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL10809234 0.86 AR (0.65) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL10809239 0.86 AR (0.65) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL7169290 0.84 AR (0.66) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL4959126 0.82 AR (0.71) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL4959122 0.82 AR (0.71) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL2011994 0.81 AR (0.82) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL2764399 0.81 ALDH1A1 (0.59) ALDH1A1LMNATSHRMAPK1HTT
SCHEMBL22809342 0.81 AR (0.69) ARCYP3A4CES2ABCB11ALDH1A1
SCHEMBL11445419 0.80 AR (0.61) ARCYP3A4CES2ABCB11ALDH1A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803916-B Hete rocyclic derivatives as SARM (SARMS) 詹森药业有限公司 2017-08-11 CN disclosed
WO-2016079522-A1 ANDROGEN RECEPTOR MODULATORS AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-05-26 WO disclosed
WO-2016079521-A1 ANDROGEN RECEPTOR MODULATORS AND THEIR USE AS ANTI-CANCER AGENTS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2016-05-26 WO disclosed
CN-104803916-A Novel heterocycle derivatives useful as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA NV 2015-07-29 CN disclosed
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 EP disclosed
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-8088811-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-03 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-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 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-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
US-7465809-B2 Heterocycle derivatives useful as selective androgen receptor modulators (SARMs) JANSSEN PHARMACEUTICA N.V. (BG) 2008-12-16 US disclosed
CN-101103003-A Novel heterocyclic derivatives as Selective Androgen Receptor Modulators (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2008-01-09 CN 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
EP-0100172-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-08-12 EP disclosed
US-4636505-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-01-13 US disclosed
EP-0100172-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-02-08 EP 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-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) AR, NR5A1, NR5A2 AR 1/4885CYP3A4 310/4885CES2 3296/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 AR 1/4885CYP3A4 310/4885CES2 3296/4885

“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.