SCHEMBL4833737

SCHEMBL4833737

CN1CCN(C(=O)Cc2n[nH]c(=O)c3c2c2ccc(Cl)cc2n3C)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
LCK P06239 1/20 0.40
PARP1 P09874 5/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK8 P45983 1/20 0.39
ALPL P05186 1/20 0.39
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 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
SCHEMBL3923385 0.83 ALPL (0.45) ALDH1A1HPGDNPSR1SMN1; SMN2PARP1
SCHEMBL4843555 0.82 TSPO (0.63) TSPOCYP2C19
SCHEMBL6256479 0.79 TSPO (0.71) TSPOALDH1A1SMN1; SMN2MAPK8MAPT
SCHEMBL8959269 0.76 TSPO (0.48) TSPOALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL5746061 0.75 TSPO (0.60) TSPOCYP3A4
Hydrochloric Acid SCHEMBL4839588 0.75 TSPO (0.59) TSPOCYP3A4
SCHEMBL5788409 0.74 TSPO (0.44) TSPOCYP2C19
SCHEMBL3926531 0.72 TSPO (0.46) TSPOCYP2C19ALPL
SCHEMBL5747445 0.72 TSPO (0.61) TSPOALDH1A1HPGDNPSR1KDM4E
SCHEMBL3930905 0.71 POLB (0.48) TSPOALDH1A1HPGDKMT2AKDM4E

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
US-20080255129-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-b]indole-1-acetamide derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-10-16 US disclosed
US-7405306-B2 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-b]indole-1-acetamide derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-07-29 US disclosed
US-20080076775-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-b]indole-1-acetamide derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-03-27 US disclosed
US-7323467-B2 3-heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-b]indole-1-acetamide derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2008-01-29 US disclosed
US-20070219202-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5 b]indole-1-acetamide derivatives, their preparation and their application in therapeutics SANOFI-AVENTIS (FR) 2007-09-20 US disclosed
EP-1492792-B1 3-HETEROARYL-3,5-DIHYDRO-4-OXO-4H-PYRIDAZINO¬4,5-B|INDOLE-1-ACETAMIDE DERIVATIVES, PREPARATION AND USE THEREOF IN MEDICAMENTS SANOFI AVENTIS (FR) 2006-03-29 EP 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 (3 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-20080076775-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-b]indole-1-acetamide derivatives, their preparation and their application in therapeutics IDO1, IDO2, TPH1 TSPO 1596/4885ALDH1A1 60/4885HPGD 780/4885
US-20070219202-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5 b]indole-1-acetamide derivatives, their preparation and their application in therapeutics IDO1, IDO2, TPH1 TSPO 1814/4885ALDH1A1 68/4885HPGD 987/4885
US-20080255129-A1 3-Heteroaryl-3,5-dihydro-4-oxo-4H-pyridazino[4,5-b]indole-1-acetamide derivatives, their preparation and their application in therapeutics IDO1, IDO2, TPH1 TSPO 1596/4885ALDH1A1 60/4885HPGD 780/4885

“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.