SCHEMBL1552322

SCHEMBL1552322

O=c1c(-c2cccc(C(F)(F)F)c2F)nn(Cc2ccc(Cl)cc2F)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.53
NR1H3 Q13133 7/20 0.53
RORC P51449 7/20 0.42
GRM2 Q14416 2/20 0.41
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
NPSR1 Q6W5P4 1/20 0.41
NR1I2 O75469 2/20 0.39
NR3C1 P04150 2/20 0.39
AR P10275 1/20 0.39
RXRA P19793 1/20 0.39
AKR1B1 P15121 1/20 0.39
CHRM1 P11229 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
SCHEMBL1976127 0.90 NR1H2 (0.42) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1976150 0.90 PTGER4 (0.43) NR1H2NR1H3RORCGRM2NR1I2
SCHEMBL1551636 0.89 NR1H2 (0.47) NR1H2NR1H3RORCGRM2NR1I2
SCHEMBL1551027 0.89 NR1H2 (0.47) NR1H2NR1H3RORCGRM2NR1I2
SCHEMBL1552131 0.89 CHRM1 (0.46) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1551449 0.88 NR1H2 (0.47) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1551105 0.87 NR1H2 (0.52) NR1H2NR1H3RORCGRM2CYP1A2
SCHEMBL1976917 0.86 BUB1 (0.42) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1974882 0.85 NR1H2 (0.44) NR1H2NR1H3RORCNR1I2NR3C1
SCHEMBL1976393 0.85 NR1H2 (0.46) NR1H2NR1H3RORCCYP1A2CYP3A4

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 9 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

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 NR1H2 535/4885NR1H3 458/4885RORC 425/4885

“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.