SCHEMBL202023

SCHEMBL202023

C=C(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.68
PDK1 Q15118 1/20 0.61
NPSR1 Q6W5P4 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GRM4 Q14833 1/20 0.54
LMNA P02545 3/20 0.53
TRPV1 Q8NER1 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.53
KCNJ5 P48544 1/20 0.53
KCNJ3 P48549 1/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 3/20 0.53
CNR2 P34972 1/20 0.53

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
SCHEMBL462753 0.84 KDR (0.76) KDRPDK1NPSR1SMN1; SMN2GRM4
SCHEMBL6031221 0.83 KDR (0.73) KDRPDK1NPSR1SMN1; SMN2GRM4
SCHEMBL9176629 0.83 KDR (0.53) KDRPDK1NPSR1SMN1; SMN2GRM4
SCHEMBL9176624 0.83 KDR (0.53) KDRPDK1NPSR1SMN1; SMN2GRM4
SCHEMBL201743 0.82 EPHX1 (0.63) KDRNPSR1SMN1; SMN2LMNAMEN1
SCHEMBL9365319 0.81 KDR (0.66) KDRPDK1NPSR1SMN1; SMN2GRM4
SCHEMBL29364392 0.81 KDR (1.00) KDRPDK1GRM4TRPV1CA1
SCHEMBL118026 0.81 KDR (1.00) KDRPDK1GRM4TRPV1CA1
SCHEMBL132197 0.81 GAA (0.62) LMNACA2CA9MEN1HTT
SCHEMBL29772937 0.81 GAA (0.62) LMNACA2CA9MEN1HTT

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 29 patents — showing the first 20. 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
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-8026262-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2011-09-27 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 US disclosed
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) ZHANG XUQING 2010-10-21 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-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-1856053-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-11-21 EP 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
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006076706-A1 CINNAMIDE AND HYDROCINNAMIDE DERIVATIVES WITH RAF-KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 WO 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 KDR 729/4885PDK1 489/4885NPSR1 3060/4885
US-20060211756-A1 Novel heterocycle derivatives useful as selective androgen receptor modulators (SARMs) AR, NR5A1, NR5A2 KDR 840/4885PDK1 836/4885NPSR1 297/4885
US-20100267670-A1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) AR, NR5A1, NR5A2 KDR 840/4885PDK1 836/4885NPSR1 297/4885

“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.