SCHEMBL1551442

SCHEMBL1551442

O=c1c(-c2ccccc2C(F)(F)F)nn(Cc2ccc(F)cc2F)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 7/20 0.42
▸ NR1H3 Q13133 7/20 0.42
▸ NR1I2 O75469 2/20 0.42
▸ NR3C1 P04150 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RORC P51449 3/20 0.42
▸ AKR1B1 P15121 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ AR P10275 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ CHRM1 P11229 4/20 0.39
▸ CHRM5 P08912 1/20 0.38
▸ KCNK3 O14649 1/20 0.37

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 0.93 NR1H2 (0.42) NR1H2NR1H3NR1I2NR3C1MEN1
SCHEMBL1974882 0.91 NR1H2 (0.44) NR1H2NR1H3NR1I2NR3C1MEN1
SCHEMBL1976393 0.89 NR1H2 (0.46) NR1H2NR1H3NR1I2NR3C1MEN1
SCHEMBL1551075 0.88 MEN1 (0.45) MEN1KMT2ARORCAKR1B1PTGDR2
SCHEMBL1551091 0.88 MEN1 (0.41) NR1H2NR1H3NR1I2NR3C1MEN1
SCHEMBL1976351 0.87 BUB1 (0.43) NR1H2NR1H3NR1I2NR3C1RORC
SCHEMBL1551015 0.86 MEN1 (0.40) MEN1KMT2ARORCAKR1B1PTGDR2
SCHEMBL1552159 0.86 MEN1 (0.45) MEN1KMT2ARORCAKR1B1PTGDR2
SCHEMBL1552097 0.86 MEN1 (0.41) MEN1KMT2ARORCAKR1B1PTGDR2
SCHEMBL1552271 0.85 CHRM1 (0.46) MEN1KMT2AAKR1B1PTGDR2CHRM1

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 8 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
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 458/4885NR1I2 408/4885

“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.

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