SCHEMBL21829019

SCHEMBL21829019

O=C(Nc1cccc2nsnc12)c1cc2c(cc1Br)OCO2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.69
RAB9A P51151 7/20 0.69
NPC1 O15118 6/20 0.69
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 10/20 0.60
HPGD P15428 7/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
TSHR P16473 4/20 0.60
CASP1 P29466 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
TP53 P04637 2/20 0.60
HTT P42858 2/20 0.52
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
HSD17B10 Q99714 6/20 0.50
NPSR1 Q6W5P4 4/20 0.50
SAE1 Q9UBE0 2/20 0.50
UBA2 Q9UBT2 2/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.46

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
SCHEMBL21829002 0.79 MAPT (0.68) MAPTRAB9AKDM4EALDH1A1HPGD
SCHEMBL21829009 0.76 MAPT (0.68) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21829017 0.75 MAPT (0.67) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21829027 0.75 MAPT (1.00) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21829008 0.75 MAPT (0.67) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21829016 0.75 MAPT (0.67) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL29959525 0.75 MAPT (1.00) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21829015 0.75 MEN1 (0.65) MAPTKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL21829001 0.75 MAPT (0.70) MAPTRAB9ANPC1KDM4EALDH1A1
SCHEMBL21828975 0.75 MAPT (0.70) MAPTRAB9ANPC1KDM4EALDH1A1

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-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE 2021-11-11 US disclosed
WO-2020072492-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE (US) 2020-04-09 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-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS STING1, CGAS, MAVS MAPT 4381/4885RAB9A 1646/4885NPC1 1661/4885

“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.