Nilutamide

Nilutamide

SCHEMBL1462011

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

AR

The experimentally established mechanism targets of Nilutamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR known ✓ P10275 15/20 1.00
LMNA P02545 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
MEN1 O00255 1/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
PGR P06401 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
TSHR P16473 1/20 1.00
ALOX12 P18054 1/20 1.00
NFKB1 P19838 1/20 1.00
CYP2C19 P33261 1/20 1.00
RAB9A P51151 1/20 1.00
KMT2A Q03164 1/20 1.00
PDE4D Q08499 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
SIRT6 Q8N6T7 1/20 0.52
POLB P06746 1/20 0.45

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
Nilutamide SCHEMBL12670 1.00 AR (1.00) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL29351021 1.00 AR (1.00) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL28562851 0.99 AR (0.98) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL20695037 0.94 AR (0.89) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL5579273 0.94 AR (0.89) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL10324758 0.90 AR (0.81) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL8407306 0.88 AR (0.78) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL5537957 0.88 AR (0.77) ARLMNASMN1; SMN2MEN1TP53
SCHEMBL629458 0.85 AR (0.74) ARLMNASMN1; SMN2MEN1TP53
Nilutamide SCHEMBL115340 0.85 AR (0.73) ARLMNASMN1; SMN2MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10933061-B2 Pyrvinium pamoate therapies and methods of use SHEPHERD THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
US-20190209549-A1 PYRVINIUM PAMOATE THERAPIES AND METHODS OF USE SHEPHERD THERAPEUTICS, INC. 2019-07-11 US disclosed
US-20190175560-A1 MEBENDAZOLE CANCER THERAPIES AND METHODS OF USE SHEPHERD THERAPEUTICS, INC. 2019-06-13 US disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed
WO-2014036520-A1 COMBINATION THERAPIES COMPRISING ANTI-ERBB3 AGENTS MERRIMACK PHARMACEUTICALS, INC. (US) 2014-03-06 WO disclosed
EP-2678359-A2 COMBINATION THERAPIES COMPRISING ANTI-ERBB3 AGENTS Merrimack Pharmaceuticals, Inc. (US) 2014-01-01 EP disclosed
WO-2012116317-A2 COMBINATION THERAPIES COMPRISING ANTI-ERBB3 AGENTS MERRIMACK PHARMACEUTICALS, INC. (US) 2012-08-30 WO disclosed
EP-2475366-A1 SUBSTITUTED (HETEROARYLMETHYL) THIOHYDANTOINS AS ANTICANCER DRUGS Bayer Pharma Aktiengesellschaft (DE) 2012-07-18 EP disclosed
WO-2011029782-A1 SUBSTITUTED (HETEROARYLMETHYL) THIOHYDANTOINS AS ANTICANCER DRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-03-17 WO disclosed
CN-1371286-A Use of cyclooxygenase-2 inhibitor matrix metallappoteinase inhibitor antineoplastic agent and optionally radiation as combination treatment of neoplasia SEARLE & CO (US) 2002-09-25 CN disclosed
CN-1346282-A Use of a cyclooxygenase-2 inhibitor and one or more antineoplastic agents as combination therapy method in treating neoplasia SEARLE & CO (US) 2002-04-24 CN 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-20190175560-A1 MEBENDAZOLE CANCER THERAPIES AND METHODS OF USE CYP3A43, HNMT, TUBB3 AR 1583/4885LMNA 3403/4885SMN1; SMN2 3812/4885
US-10933061-B2 Pyrvinium pamoate therapies and methods of use TP53, MSH2, BRCA1 AR 874/4885LMNA 3458/4885SMN1; SMN2 1262/4885
US-20190209549-A1 PYRVINIUM PAMOATE THERAPIES AND METHODS OF USE TP53, MSH2, BRCA1 AR 874/4885LMNA 3458/4885SMN1; SMN2 1262/4885

“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.