SCHEMBL21829002

SCHEMBL21829002

O=C(Nc1cccc2cccnc12)c1cc2c(cc1Br)OCO2

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.68
L3MBTL1 Q9Y468 1/20 0.66
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
P2RX4 Q99571 1/20 0.59
P2RX7 Q99572 1/20 0.59
CFTR P13569 1/20 0.57
KDR P35968 7/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TSHR P16473 1/20 0.55
PLEC Q15149 1/20 0.54
HDAC6 Q9UBN7 1/20 0.53
GLO1 Q04760 1/20 0.51

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
SCHEMBL29959525 0.81 MAPT (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21829027 0.81 MAPT (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21829019 0.79 MAPT (0.69) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL21829009 0.77 MAPT (0.68) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21829016 0.76 MAPT (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21829008 0.76 MAPT (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21829017 0.76 MAPT (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21829010 0.76 MAPT (0.63) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL1507696 0.76 MAPT (0.78) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL21828975 0.76 MAPT (0.70) MAPTMEN1KMT2AKDM4EALDH1A1

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 4381/4885L3MBTL1 2955/4885MEN1 4179/4885

“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.