SCHEMBL332500

SCHEMBL332500

CC1(CN)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.73
LMNA P02545 4/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
NPSR1 Q6W5P4 2/20 0.73
TP53 P04637 1/20 0.73
CYP1A2 P05177 1/20 0.73
PGR P06401 1/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C9 P11712 1/20 0.73
TSHR P16473 1/20 0.73
ALOX12 P18054 1/20 0.73
NFKB1 P19838 1/20 0.73
CYP2C19 P33261 1/20 0.73
RAB9A P51151 1/20 0.73
PDE4D Q08499 1/20 0.73
SIRT6 Q8N6T7 1/20 0.47
POLB P06746 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
SCHEMBL10554082 0.89 AR (0.73) ARLMNASMN1; SMN2MEN1KMT2A
SCHEMBL10554935 0.89 AR (0.73) ARLMNASMN1; SMN2MEN1KMT2A
SCHEMBL332412 0.89 AR (0.73) ARLMNASMN1; SMN2MEN1KMT2A
Nilutamide SCHEMBL12670 0.85 AR (1.00) ARLMNASMN1; SMN2MEN1KMT2A
Nilutamide SCHEMBL29351021 0.85 AR (1.00) ARLMNASMN1; SMN2MEN1KMT2A
Nilutamide SCHEMBL1462011 0.85 AR (1.00) ARLMNASMN1; SMN2MEN1KMT2A
Nilutamide SCHEMBL28562851 0.84 AR (0.98) ARLMNASMN1; SMN2MEN1KMT2A
SCHEMBL332180 0.83 AR (0.66) ARLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13581915 0.83 AR (0.66) ARLMNASMN1; SMN2MEN1KMT2A
Nilutamide SCHEMBL5579273 0.82 AR (0.89) ARLMNASMN1; SMN2MEN1KMT2A

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 16 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
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
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

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 1/4885LMNA 3826/4885SMN1; SMN2 4566/4885
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR AR 1/4885LMNA 3826/4885SMN1; SMN2 4566/4885

“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.