SCHEMBL4838151

SCHEMBL4838151

N=C(NO)c1ccc(N2CC[C@H](CNC(=O)O)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.47
TDP1 Q9NUW8 10/20 0.47
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 5/20 0.47
MCL1 Q07820 3/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 11/20 0.44
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL4833890 0.83 NAMPT (0.48) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL1749697 0.81 MAPT (0.52) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL1749694 0.81 MAPT (0.52) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL1751383 0.77 MAPT (0.52) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL1751385 0.77 MAPT (0.52) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL27197486 0.75 CHIT1 (0.47) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL1749531 0.75 MAPT (0.44) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL1750407 0.74 MAPT (0.49) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL14905666 0.74 EPHX2 (0.61) MAPTTDP1ALDH1A1KDM4EMCL1
SCHEMBL4838158 0.73 MCHR1 (0.52) USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299104-B2 Melanin hormone antagonist; therapy for obesity, type-2 diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-10-30 US disclosed
US-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-08-28 US disclosed
US-7319108-B2 Aryl-substituted heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-15 US disclosed
US-20050176710-A1 Aryl-substituted heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-08-11 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 (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-20080207707-A1 ARYL-SUBSTITUTED HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS CYP11B1, CYP11B2, GPR119 MAPT 4828/4885TDP1 4363/4885ALDH1A1 406/4885
US-20050176710-A1 Aryl-substituted heterocycles, process for their preparation and their use as medicaments CYP11B1, CYP11B2, GPR119 MAPT 4828/4885TDP1 4363/4885ALDH1A1 406/4885

“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.