SCHEMBL4548416

SCHEMBL4548416

COC(=O)C(Cc1cnn(-c2ccc([N+](=O)[O-])cn2)c1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
HCAR2 Q8TDS4 1/20 0.41
MAPT P10636 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PANK3 Q9H999 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 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
SCHEMBL4548415 0.96 HCAR2 (0.42) CYP2C19HCAR2MAPTNPC1RAB9A
SCHEMBL10312536 0.91 HCAR2 (0.45) CYP2C19HCAR2MAPTNPC1RAB9A
SCHEMBL4548414 0.81 CYP2C19 (0.43) CYP2C19HCAR2MAPTNPC1RAB9A
SCHEMBL4548417 0.76 MAPT (0.48) MAPTNPC1RAB9AKMT2ACYP1A2
SCHEMBL2234342 0.74 PTPRB (0.52) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL4548418 0.72 MAPT (0.51) MAPTRAB9AKMT2ACYP1A2ALDH1A1
SCHEMBL11901316 0.69 MAPT (0.51) MAPTKMT2ACYP1A2ALDH1A1LMNA
SCHEMBL9001515 0.69 MAPT (0.54) MAPTRAB9AKDM4EKMT2AALDH1A1
SCHEMBL6311420 0.68 MEN1 (0.47) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL1403468 0.67 CYP2C19 (0.55) CYP2C19MAPTNPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US disclosed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 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-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 CYP2C19 618/4885HCAR2 2/4885MAPT 2721/4885

“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.