SCHEMBL629458

SCHEMBL629458

O=C1NC2(CCC2)C(=O)N1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.74
LMNA P02545 4/20 0.74
RAB9A P51151 2/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
PGR P06401 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
TSHR P16473 1/20 0.74
ALOX12 P18054 1/20 0.74
NFKB1 P19838 1/20 0.74
CYP2C19 P33261 1/20 0.74
PDE4D Q08499 1/20 0.74
SIRT6 Q8N6T7 1/20 0.50
POLB P06746 2/20 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 0.85 AR (1.00) ARLMNARAB9ASMN1; SMN2MEN1
Nilutamide SCHEMBL1462011 0.85 AR (1.00) ARLMNARAB9ASMN1; SMN2MEN1
Nilutamide SCHEMBL29351021 0.85 AR (1.00) ARLMNARAB9ASMN1; SMN2MEN1
Nilutamide SCHEMBL28562851 0.84 AR (0.98) ARLMNARAB9ASMN1; SMN2MEN1
Nilutamide SCHEMBL20695037 0.81 AR (0.89) ARLMNARAB9ASMN1; SMN2MEN1
Nilutamide SCHEMBL5579273 0.81 AR (0.89) ARLMNARAB9ASMN1; SMN2MEN1
SCHEMBL8407306 0.79 AR (0.78) ARLMNARAB9ASMN1; SMN2MEN1
SCHEMBL332500 0.78 AR (0.73) ARLMNARAB9ASMN1; SMN2MEN1
SCHEMBL10554935 0.78 AR (0.73) ARLMNARAB9ASMN1; SMN2MEN1
SCHEMBL4025728 0.78 AR (0.70) ARLMNARAB9ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710091-B2 Imidazolidine-2,4-dione derivatives, and use thereof as a cancer drug IPSEN PHARMA S.A.S. (FR) 2014-04-29 US disclosed
EP-2419410-B1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA SAS (FR) 2013-03-06 EP disclosed
US-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-04-05 US disclosed
EP-2419410-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2012-02-22 EP disclosed
WO-2010119193-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA S.A.S. (FR) 2010-10-21 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 (1 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-20120083514-A1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG MKI67, CCND2, CCND1 AR 1752/4885LMNA 2812/4885RAB9A 2315/4885

“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.