SCHEMBL1552095

SCHEMBL1552095

O=c1c(-c2cccc(C(F)(F)F)c2F)nn(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.48
NR1H3 Q13133 5/20 0.48
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
ESR1 P03372 1/20 0.42
PTGER4 P35408 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 2/20 0.40
RORC P51449 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CHRM1 P11229 1/20 0.39
BUB1 O43683 1/20 0.39
TSHR P16473 1/20 0.39
P2RX7 Q99572 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL1551105 0.86 NR1H2 (0.52) NR1H2NR1H3KMT2AALDH1A1MEN1
SCHEMBL1976127 0.86 NR1H2 (0.42) NR1H2NR1H3KMT2AMEN1RORC
SCHEMBL1551449 0.85 NR1H2 (0.47) NR1H2NR1H3ALDH1A1RORCCHRM1
SCHEMBL6114330 0.83 SCN5A (0.37) ESR1RORCTSHR
SCHEMBL1551625 0.83 RORC (0.39) ESR1RORCCHRM1BUB1
SCHEMBL1551575 0.82 RORC (0.39) NR1H2NR1H3ESR1RORCBUB1
SCHEMBL1552322 0.82 NR1H2 (0.53) NR1H2NR1H3RORCCHRM1TSHR
SCHEMBL1976150 0.81 PTGER4 (0.43) NR1H2NR1H3PTGER4RORCCHRM1
SCHEMBL1552055 0.81 SCN9A (0.41) ESR1PTGER4RORCBUB1P2RX7
SCHEMBL594935 0.81 CNR2 (0.40) ESR1RORCCNR1TSHR

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 NR1H2 535/4885NR1H3 458/4885KMT2A 3950/4885

“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.