SCHEMBL1973446

SCHEMBL1973446

O=c1c(-c2cccc(C(F)(F)F)c2)nn(Cc2ccc(F)cc2F)c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KCNK3 O14649 6/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
RXRA P19793 1/20 0.41
AKR1B1 P15121 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I2 O75469 1/20 0.39
NR3C1 P04150 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGER4 P35408 1/20 0.38
RORC P51449 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 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
SCHEMBL1975556 0.94 LMNA (0.45) ALDH1A1LMNANPSR1NR1H2NR1H3
SCHEMBL1552316 0.90 CHRM1 (0.44) ALDH1A1LMNANPSR1NR1H2NR1H3
SCHEMBL1551645 0.90 MEN1 (0.50) ALDH1A1LMNANPSR1KCNK3NR1H2
SCHEMBL1552154 0.90 NR1H2 (0.49) ALDH1A1LMNANPSR1KCNK3NR1H2
SCHEMBL1551047 0.90 KCNK3 (0.41) KCNK3NR1H2NR1H3RXRAAKR1B1
SCHEMBL1551046 0.90 KCNK3 (0.49) KCNK3AKR1B1PTGDR2MEN1KMT2A
SCHEMBL1973249 0.87 MEN1 (0.41) NPSR1KCNK3NR1H2NR1H3RXRA
SCHEMBL1552277 0.87 AKR1B1 (0.48) ALDH1A1KCNK3AKR1B1PTGDR2MEN1
SCHEMBL1552142 0.87 NPSR1 (0.46) ALDH1A1LMNANPSR1KCNK3NR1H2
SCHEMBL1551441 0.85 KCNK3 (0.55) KCNK3NR1H2NR1H3RXRAAKR1B1

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 6 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
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-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 ALDH1A1 2135/4885LMNA 2498/4885NPSR1 28/4885

“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.