SCHEMBL331023

SCHEMBL331023

CC1(CN)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.71
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ITGAL P20701 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL332642 0.88 AR (0.76) ARMEN1LMNATP53CYP1A2
SCHEMBL11079218 0.83 AR (1.00) ARMEN1LMNATP53CYP1A2
SCHEMBL332918 0.82 AR (0.63) ARMEN1LMNATP53CYP1A2
SCHEMBL13581774 0.82 AR (0.63) ARMEN1LMNATP53CYP1A2
SCHEMBL332500 0.81 AR (0.73) ARMEN1LMNATP53CYP1A2
SCHEMBL11472341 0.80 AR (0.70) ARMEN1LMNATP53CYP1A2
SCHEMBL11087769 0.76 AR (0.76) ARMEN1LMNATP53CYP1A2
SCHEMBL4031754 0.75 AR (0.79) ARMEN1LMNATP53CYP1A2
SCHEMBL6989547 0.71 AR (0.75) ARMEN1LMNATP53CYP1A2
SCHEMBL1773488 0.71 AR (0.65) ARPGRITGAL

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097730-B2 Bicyclic heterocycles useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-17 US disclosed
US-8097730-B2 Bicyclic heterocycles useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-17 US disclosed
US-8097730-B2 Bicyclic heterocycles useful as selective androgen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2012-01-17 US disclosed
EP-1991549-B1 BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-11 EP disclosed
EP-1991549-B1 BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-11 EP disclosed
US-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ZHANG XUQING 2010-06-24 US disclosed
US-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ZHANG XUQING 2010-06-24 US disclosed
US-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ZHANG XUQING 2010-06-24 US disclosed
US-7626036-B2 4-(3a-Methyl-1,3-dioxo-5-trifluoromethyl-3a,4-dihydro-3H-1l4-thia-2,6,6a-triaza-pentalen-2-yl)-2-trifluoromethyl-benzonitrile; anticarcinogenic agents; prostate glands; benign prostatic hyperplasia; alopecia; eating disorders; mammary glands; acne; AIDS; cachexia; male contraceptives; sexual disorders JANSSEN PHARMACEUTICA NV (BE) 2009-12-01 US disclosed
US-7626036-B2 4-(3a-Methyl-1,3-dioxo-5-trifluoromethyl-3a,4-dihydro-3H-1l4-thia-2,6,6a-triaza-pentalen-2-yl)-2-trifluoromethyl-benzonitrile; anticarcinogenic agents; prostate glands; benign prostatic hyperplasia; alopecia; eating disorders; mammary glands; acne; AIDS; cachexia; male contraceptives; sexual disorders JANSSEN PHARMACEUTICA NV (BE) 2009-12-01 US disclosed
US-7626036-B2 4-(3a-Methyl-1,3-dioxo-5-trifluoromethyl-3a,4-dihydro-3H-1l4-thia-2,6,6a-triaza-pentalen-2-yl)-2-trifluoromethyl-benzonitrile; anticarcinogenic agents; prostate glands; benign prostatic hyperplasia; alopecia; eating disorders; mammary glands; acne; AIDS; cachexia; male contraceptives; sexual disorders JANSSEN PHARMACEUTICA NV (BE) 2009-12-01 US disclosed
EP-1991549-A1 BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2008-11-19 EP disclosed
WO-2007095423-A1 BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 WO disclosed
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
WO-2007095423-A1 BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 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 (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-20100160330-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR AR 1/4885MEN1 3463/4885LMNA 3826/4885
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR AR 1/4885MEN1 3463/4885LMNA 3826/4885

“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.