SCHEMBL4022663

SCHEMBL4022663

Clc1ccc(-c2cnon2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.44
METAP2 P50579 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TDO2 P48775 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL1520375 0.77 RAB9A (0.43) NOTUMMETAP2NPC1RAB9ATDO2
Ammonia Solution, Strong SCHEMBL27708939 0.76 RAB9A (0.42) NOTUMMETAP2NPC1RAB9ATDO2
SCHEMBL24921559 0.74 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1177955 0.72
SCHEMBL326687 0.71 RAB9A (0.47) NOTUMNPC1RAB9AKDM4EALDH1A1
SCHEMBL15850503 0.67 MAPT (0.53) NOTUMNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8576627 0.67 CYP1A2 (0.49) NOTUMMETAP2NPC1RAB9ASMN1; SMN2
SCHEMBL24921545 0.66 MKNK1 (0.47) MAPT
SCHEMBL9213944 0.65 RAB9A (0.59) NOTUMNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL346163 0.65 NOTUM (0.42) NOTUMMETAP2NPC1RAB9ASMN1; SMN2

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
US-7632851-B2 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2009-12-15 US disclosed
EP-1613610-B1 BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS NOVARTIS AG (CH) 2009-07-01 EP disclosed
US-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers NOVARTIS AG (CH) 2006-05-04 US disclosed
EP-1613610-A1 BENZO 1,2,5 OXADIAZOLES AND BENZO 1,2,5 THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS Novartis AG (CH) 2006-01-11 EP disclosed
WO-2004087684-A1 BENZO[1,2,5]OXADIAZOLES AND BENZO [1,2,5]THIADIAZOLES USEFUL AS HISTOPATHOLOGICAL STAINING AGENTS, IMAGING AGENTS AND BIOMARKERS NOVARTIS AG (CH) 2004-10-14 WO 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-20060093551-A1 Benzo[1,2,5]oxadiazoles and benzol[1,2,5]thiadiazoles useful as histopathological staining agents, imaging agents and biomarkers H1-3, MKI67, H1-5 NOTUM 3595/4885METAP2 4737/4885NPC1 395/4885

“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.