SCHEMBL1336833

SCHEMBL1336833

CN(C)C=C(C#N)c1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n(C)c1n2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 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
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 6/20 0.33
CNR2 P34972 6/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
F2RL3 Q96RI0 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31

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
SCHEMBL1336832 1.00 ALDH1A1 (0.41) ALDH1A1MAPTHPGDNPSR1CYP1A2
SCHEMBL1337007 0.85 CNR1 (0.37) ALDH1A1MAPTHPGDCNR1CNR2
SCHEMBL1337006 0.85 CNR1 (0.37) ALDH1A1MAPTHPGDCNR1CNR2
SCHEMBL1336878 0.82 MAPT (0.44) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL1336876 0.82 MAPT (0.44) ALDH1A1MAPTHPGDCYP1A2CYP3A4
SCHEMBL1338542 0.81 AGPAT2 (0.36) ALDH1A1MAPTHPGDNPSR1CYP1A2
SCHEMBL3572664 0.81 CNR1 (0.38) ALDH1A1MAPTHPGDNPSR1CYP1A2
SCHEMBL1336873 0.81 GABRA1 (0.42) ALDH1A1HPGDCNR1CNR2KDM4E
SCHEMBL1339573 0.81 KDM4E (0.46) ALDH1A1HPGDCNR1CNR2KDM4E
SCHEMBL3572533 0.81 GABRA1 (0.38) ALDH1A1HPGDCNR1CNR2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063061-B2 6-(2-amino-1,3-thiazol-4-yl)-3-(2,4-dichlorophenyl)-1-methyl-1,9-dihydro-2H-pyrido[2,3-b]indol-2-one; affinity for GABAA-receptor-associated omega modulatory sites SANOFI-AVENTIS (FR) 2011-11-22 US disclosed
EP-1940840-B1 6-HETEROARYLPYRIDOINDOLONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2010-07-21 EP disclosed
US-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof SANOFI-AVENTIS (FR) 2008-10-23 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-20080262020-A1 6-Heteroarylpyridoindolone Derivatives, Their Preparation and Therapeutic Use Thereof CYP11B2, CYP11B1, CYP2D6 ALDH1A1 283/4885MAPT 2476/4885HPGD 203/4885

“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.