SCHEMBL3730438

SCHEMBL3730438

CC1(C)C(=O)N(c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)C(=O)[N+]1(Cc1ccncc1)OC(=O)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CYP3A4 P08684 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4D Q08499 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL3727464 0.78 IGF1R (0.41) SMN1; SMN2CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL4888699 0.78 MAPT (0.34) MAPTALDH1A1SMN1; SMN2
SCHEMBL3737891 0.77 IGF1R (0.39) CYP3A4CYP2C9CYP2C19POLB
SCHEMBL2940400 0.77 IGF1R (0.35) KMT2AMEN1
SCHEMBL4890256 0.77 NAMPT (0.40) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4884670 0.76 IGF1R (0.34) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL4879679 0.76 NR1H2 (0.36) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4884428 0.76 IGF1R (0.33) SMN1; SMN2KMT2ALMNACYP3A4CYP2C9
SCHEMBL4884585 0.76 IGF1R (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL4885935 0.76 IGF1R (0.39) ALDH1A1LMNACYP1A2CYP3A4CYP2C9

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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS GENZYME CORPORATION 2017-10-05 US disclosed
US-7825115-B2 Cyclic urea compounds, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2010-11-02 US disclosed
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2008-05-08 US disclosed
US-7354933-B2 Protein kinase inhibitors; antitumor agents; such as 5-methyl-1-quinol-4-ylmethyl-3-(4-trifluoromethanesulfonylphenyl)imidazolidine-2,4-dione trifluoroacetate AVENTIS PHARMA SA (FR) 2008-04-08 US disclosed
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors AVENTIS PHARMA S.A. (FR) 2004-12-09 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 (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-20170281641-A1 CYCLIC UREA COMPOUNDS AS TROPOMYOSIN-RELATED KINASE (TRK) iNHIBITORS NGF, NTRK1, TK1 MAPT 262/4885ALDH1A1 3685/4885SMN1; SMN2 2921/4885
US-20080108654-A1 Cyclic Urea Compounds, Preparation Thereof and Pharmaceutical Use Thereof as Kinase Inhibitors PRKG1, PRKACA, CMPK1 MAPT 1554/4885ALDH1A1 3413/4885SMN1; SMN2 3761/4885
US-20040248884-A1 Novel cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors PRKG1, PRKACA, PRKCA MAPT 2136/4885ALDH1A1 2827/4885SMN1; SMN2 4365/4885

“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.