SCHEMBL332258

SCHEMBL332258

CCOC(=O)C1=NN2C(=O)N(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C(=O)C2(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
AR P10275 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
PDE4D Q08499 1/20 0.50
SIRT6 Q8N6T7 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL10081699 0.88 AR (0.53) LMNAARSMN1; SMN2MEN1KMT2A
SCHEMBL10050796 0.84 AR (0.49) LMNAAR
SCHEMBL332307 0.84 AR (0.49) ARPGR
SCHEMBL10050803 0.77 AR (0.45) LMNAAR
SCHEMBL332212 0.77 AR (0.49) LMNAARPGR
SCHEMBL4025724 0.71 AR (0.69) LMNAARSMN1; SMN2MEN1KMT2A
SCHEMBL332523 0.70 AR (0.61) LMNAARSMN1; SMN2MEN1KMT2A
SCHEMBL4026041 0.70 AR (0.70) LMNAARSMN1; SMN2MEN1KMT2A
Nilutamide SCHEMBL5579273 0.70 AR (0.89) LMNAARSMN1; SMN2MEN1KMT2A
SCHEMBL1387624 0.70 AR (0.60) LMNAARSMN1; 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 14 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
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 LMNA 3826/4885AR 1/4885SMN1; SMN2 4566/4885
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR LMNA 3826/4885AR 1/4885SMN1; 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.