SCHEMBL21829008

SCHEMBL21829008

Cc1cccc(NC(=O)c2cc3c(cc2Br)OCO3)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
RXFP1 Q9HBX9 2/20 0.52
HTT P42858 3/20 0.51
TP53 P04637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 3/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HPGD P15428 3/20 0.49

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
SCHEMBL21829009 0.91 MAPT (0.68) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21829017 0.90 MAPT (0.67) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21829001 0.90 MAPT (0.70) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21829012 0.88 MAPT (0.64) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21829020 0.86 MAPT (0.60) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21828983 0.82 KDM4E (0.56) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21829027 0.80 MAPT (1.00) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL29959525 0.80 MAPT (1.00) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21829016 0.80 MAPT (0.67) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL21828973 0.80 MAPT (0.70) MAPTALDH1A1NPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020072492-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE (US) 2020-04-09 WO claimed
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 4381/4885ALDH1A1 3145/4885NPC1 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.