SCHEMBL593602

SCHEMBL593602

O=c1c(-c2cccc(C(F)(F)F)c2)nn(CCCCC(F)(F)F)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
ATM Q13315 1/20 0.39
TDO2 P48775 1/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
UBE2N P61088 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL594869 0.89 CNR2 (0.52) LMNAALDH1A1NPSR1CNR2
SCHEMBL594005 0.88 LMNA (0.47) LMNAALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL593472 0.85 ALDH1A1 (0.44) LMNAALDH1A1NPSR1KDM4EHSD17B10
SCHEMBL593752 0.80 PTGDR2 (0.38) CNR2PTGDR2
SCHEMBL1552142 0.79 NPSR1 (0.46) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL1975556 0.78 LMNA (0.45) LMNAALDH1A1NPSR1MEN1KMT2A
SCHEMBL3978568 0.78 CNR2 (0.44) KDM4EHSD17B10TSHRCNR2MAPT
SCHEMBL592810 0.78 SCN5A (0.37) KDM4EHSD17B10TSHRCNR2
SCHEMBL1491875 0.77 CNR2 (0.39) ALDH1A1KDM4EHSD17B10TSHRCNR2
SCHEMBL1973446 0.76 ALDH1A1 (0.43) LMNAALDH1A1NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP claimed
US-8420651-B2 Substituted 1-alkylcinnolin-4(1H)-one derivatives, preparation thereof and therapeutic application of same SANOFI (FR) 2013-04-16 US claimed
US-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 US claimed
EP-2417111-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-02-15 EP claimed
WO-2010116084-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI-AVENTIS (FR) 2010-10-14 WO claimed
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP disclosed
US-8420651-B2 Substituted 1-alkylcinnolin-4(1H)-one derivatives, preparation thereof and therapeutic application of same SANOFI (FR) 2013-04-16 US disclosed
US-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 US disclosed
EP-2417111-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-02-15 EP disclosed
WO-2010116084-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI-AVENTIS (FR) 2010-10-14 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME ALK, CBR1, CBR3 LMNA 1753/4885ALDH1A1 718/4885NPSR1 508/4885

“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.