SCHEMBL1880533

SCHEMBL1880533

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MEN1 O00255 1/20 0.66
LMNA P02545 1/20 0.66
TP53 P04637 1/20 0.66
CYP1A2 P05177 1/20 0.66
PGR P06401 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
ALOX12 P18054 1/20 0.66
NFKB1 P19838 1/20 0.66
CYP2C19 P33261 1/20 0.66
RAB9A P51151 1/20 0.66
KMT2A Q03164 1/20 0.66
PDE4D Q08499 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL1882522 0.81 AR (0.54) ARSMN1; SMN2MEN1LMNATP53
SCHEMBL10996694 0.81 AR (0.63) ARSMN1; SMN2MEN1LMNATP53
Nilutamide SCHEMBL29351021 0.80 AR (1.00) ARSMN1; SMN2MEN1LMNATP53
Nilutamide SCHEMBL1462011 0.80 AR (1.00) ARSMN1; SMN2MEN1LMNATP53
Nilutamide SCHEMBL12670 0.80 AR (1.00) ARSMN1; SMN2MEN1LMNATP53
SCHEMBL1875673 0.79 AR (0.66) ARSMN1; SMN2MEN1LMNATP53
Nilutamide SCHEMBL28562851 0.79 AR (0.98) ARSMN1; SMN2MEN1LMNATP53
SCHEMBL634133 0.78 AR (0.65) ARSMN1; SMN2MEN1LMNATP53
SCHEMBL11474265 0.78 AR (0.64) ARSMN1; SMN2MEN1LMNATP53
SCHEMBL94938 0.76 AR (0.69) ARSMN1; SMN2MEN1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-7935819-B2 Cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2011-05-03 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
US-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2009-03-26 US disclosed
EP-1979339-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2008-10-15 EP disclosed
WO-2007083017-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-07-26 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-20090082379-A1 Novel Cyclic Urea Derivatives, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKAR2B, CDK1, PRKX AR 2743/4885SMN1; SMN2 4426/4885MEN1 2622/4885

“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.