SCHEMBL1552041

SCHEMBL1552041

COc1cccc2c(=O)cn[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 1.00
KDM4E B2RXH2 5/20 1.00
HPGD P15428 5/20 1.00
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
NQO2 P16083 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
MCL1 Q07820 2/20 0.45
LMNA P02545 2/20 0.45
BLM P54132 1/20 0.45
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
METAP2 P50579 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL29568306 0.77 KDM4E (0.63) ALDH1A1KDM4EHPGDLMNAMETAP2
SCHEMBL22557543 0.77 KDM4E (0.63) ALDH1A1KDM4EHPGDLMNAMETAP2
SCHEMBL5483794 0.77 HPGD (0.62) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL24861080 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDNQO2TSHR
SCHEMBL29052296 0.72 KDM4E (0.57) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL10595701 0.72 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDGAAMAPT
SCHEMBL1977213 0.72 KDM4E (0.56) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL5583144 0.72 KDM4E (0.56) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL594346 0.71 KDM4E (0.55) ALDH1A1KDM4EHPGDGAAGLA
SCHEMBL28369687 0.70 CHEK1 (0.55) ALDH1A1KDM4EHPGDGAANQO2

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 disclosed
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP disclosed
US-8420651-B2 Substituted 1-alkylcinnolin-4(1H)-one derivatives, preparation thereof and therapeutic application of same SANOFI (FR) 2013-04-16 US 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 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 (2 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME ALK, CBR1, CBR3 ALDH1A1 718/4885KDM4E 3133/4885HPGD 2778/4885
US-20110144115-A1 SUBSTITUTED 1-BENZYL-CINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CNR1, CNR2, GPR18 ALDH1A1 2135/4885KDM4E 2334/4885HPGD 2035/4885

“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.