SCHEMBL629028

SCHEMBL629028

Cc1cc(N2C(=O)N(CCCCCCCCCBr)C(C)(C)C2=O)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
AR P10275 5/20 0.41
PGR P06401 2/20 0.41
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4D Q08499 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL633631 0.94 SMN1; SMN2 (0.49) SMN1; SMN2ARPGRHPGDMEN1
SCHEMBL629376 0.86 AR (0.57) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL26800352 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ARPGRHPGDMEN1
SCHEMBL634305 0.82 PGR (0.44) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL633864 0.81 SIRT6 (0.48) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL629598 0.80 AR (0.41) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL890673 0.80 AR (0.40) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL633318 0.80 AR (0.62) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL633848 0.80 AR (0.62) SMN1; SMN2ARPGRMEN1LMNA
SCHEMBL634148 0.80 AR (0.62) SMN1; SMN2ARPGRMEN1LMNA

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
CN-102428073-B Imidazolidine-2,4-dione derivative and the purposes as cancer drug thereof IPSEN PHARMA S.A.S. (FR) 2015-09-30 CN claimed
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 claimed
EP-2419410-B1 IMIDAZOLIDINE-2,4-DIONE DERIVATIVES, AND USE THEREOF AS A CANCER DRUG IPSEN PHARMA SAS (FR) 2013-03-06 EP claimed
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 claimed
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 claimed
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 claimed
CN-102428073-B Imidazolidine-2,4-dione derivative and the purposes as cancer drug thereof IPSEN PHARMA S.A.S. (FR) 2015-09-30 CN disclosed
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 SMN1; SMN2 1773/4885AR 1752/4885PGR 765/4885

“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.