SCHEMBL4694770

SCHEMBL4694770

O=C(O)C1NCC(NOCc2ccccc2)c2c[nH]nc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
EPHX2 P34913 2/20 0.34
MAPKAPK2 P49137 1/20 0.34
HTR2C P28335 1/20 0.33
MC4R P32245 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NAAA Q02083 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4155681 0.90 ALDH1A1 (0.34) NPC1RAB9AEPHX2HTR2CALDH1A1
Hydrochloric Acid SCHEMBL4147766 0.89 TSHR (0.34) NPC1RAB9AEPHX2HTR2CALDH1A1
SCHEMBL5330841 0.84 TSHR (0.40) NPC1RAB9AEPHX2MAPKAPK2HTR2C
SCHEMBL4696597 0.78 NPC1 (0.35) NPC1RAB9AEPHX2MAPKAPK2HTR2C
SCHEMBL4693843 0.76 KEAP1 (0.40) NPC1RAB9AALDH1A1
SCHEMBL5187221 0.76 NPC1 (0.37) NPC1RAB9AEPHX2HTR2CALDH1A1
SCHEMBL20557971 0.73 CCNB2 (0.35) NPC1RAB9AEPHX2MAPKAPK2HTR2C
SCHEMBL4695715 0.72 NPC1 (0.33) NPC1RAB9AEPHX2MAPKAPK2HTR2C
SCHEMBL4695714 0.72 NPC1 (0.33) NPC1RAB9AEPHX2MAPKAPK2HTR2C
SCHEMBL5256420 0.72 BCHE (0.42) NPC1RAB9AMAPKAPK2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS NPC1 2106/4885RAB9A 1806/4885EPHX2 575/4885

“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.