SCHEMBL1551645

SCHEMBL1551645

O=c1c(-c2cccc(C(F)(F)F)c2)nn(Cc2ccc(F)cc2Cl)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
NR1I2 O75469 1/20 0.48
NR3C1 P04150 1/20 0.48
AR P10275 1/20 0.48
RXRA P19793 1/20 0.48
TP53 P04637 3/20 0.48
RORC P51449 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL1551672 0.91 NPSR1 (0.52) MEN1KMT2ANR1H2NR1H3NR1I2
SCHEMBL1973446 0.90 ALDH1A1 (0.43) MEN1KMT2ANR1H2NR1H3NR1I2
SCHEMBL1552142 0.87 NPSR1 (0.46) MEN1KMT2ANR1H2NR1H3TP53
SCHEMBL1552154 0.86 NR1H2 (0.49) NR1H2NR1H3TP53RORCALDH1A1
SCHEMBL1975556 0.86 LMNA (0.45) MEN1KMT2ANR1H2NR1H3RORC
SCHEMBL1552316 0.83 CHRM1 (0.44) NR1H2NR1H3ALDH1A1LMNANPSR1
SCHEMBL1973249 0.82 MEN1 (0.41) MEN1KMT2ANR1H2NR1H3NR1I2
SCHEMBL1551105 0.82 NR1H2 (0.52) MEN1KMT2ANR1H2NR1H3NR1I2
SCHEMBL1551047 0.80 KCNK3 (0.41) MEN1KMT2ANR1H2NR1H3NR1I2
SCHEMBL1551046 0.79 KCNK3 (0.49) MEN1KMT2ATP53RORCKCNK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313376-B1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-12-24 EP claimed
US-8410099-B2 Substituted 1-benzyl-cinnolin-4(1H)-one derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-04-02 US claimed
JP-2011527323-A 2011-10-27 JP claimed
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US claimed
EP-2313376-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-04-27 EP claimed
WO-2010004215-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 WO claimed
EP-2313376-B1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-12-24 EP disclosed
US-8410099-B2 Substituted 1-benzyl-cinnolin-4(1H)-one derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2013-04-02 US disclosed
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-06-16 US disclosed
EP-2313376-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2011-04-27 EP disclosed
WO-2010004215-A2 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-01-14 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-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CNR1, CNR2, GPR18 MEN1 1043/4885KMT2A 3950/4885NR1H2 535/4885

“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.