SCHEMBL21829005

SCHEMBL21829005

CN(C(=O)c1cc2c(cc1Br)OCO2)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
SIGMAR1 Q99720 5/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KLK7 P49862 1/20 0.38
L3MBTL4 Q8NA19 1/20 0.37
EDNRA P25101 2/20 0.36
ALOX15 P16050 1/20 0.36
LMNA P02545 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
SCHEMBL21829027 0.73 MAPT (1.00) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL29959525 0.73 MAPT (1.00) MAPTALDH1A1RAB9AKDM4EHPGD
SCHEMBL9016652 0.67 SMN1; SMN2 (0.51) MAPTALDH1A1KDM4EHPGDNPSR1
SCHEMBL1614544 0.67 SIGMAR1 (0.67) SIGMAR1
SCHEMBL3626830 0.67 SIGMAR1 (0.67) MAPTSIGMAR1ALDH1A1RAB9AKDM4E
SCHEMBL29666490 0.67 SIGMAR1 (0.67) SIGMAR1
SCHEMBL11856611 0.67 MAPT (0.55) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL18773992 0.66 SIGMAR1 (0.53) SIGMAR1RAB9AHPGDMEN1KMT2A
SCHEMBL27616524 0.66 SIGMAR1 (0.53) SIGMAR1RAB9AMEN1KMT2A
SCHEMBL26620285 0.66 SIGMAR1 (0.61) SIGMAR1ALDH1A1KDM4EKMT2A

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 4381/4885SIGMAR1 4088/4885ALDH1A1 3145/4885

“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.