SCHEMBL21829016

SCHEMBL21829016

O=C(Nc1cccc(Cl)c1Cl)c1cc2c(cc1Br)OCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PTGS2 P35354 2/20 0.47
TOP1 P11387 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
THRB P10828 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHB3 P54753 1/20 0.43

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
SCHEMBL21828973 0.90 MAPT (0.70) MAPTPOLBMEN1KMT2ACYP1A2
SCHEMBL21828997 0.82 MEN1 (0.49) MAPTTP53POLBMEN1KMT2A
SCHEMBL21829009 0.81 MAPT (0.68) MAPTTP53MEN1KMT2ACYP1A2
SCHEMBL29959525 0.80 MAPT (1.00) MAPTTP53POLBMEN1KMT2A
SCHEMBL21829017 0.80 MAPT (0.67) MAPTTP53POLBMEN1KMT2A
SCHEMBL21829008 0.80 MAPT (0.67) MAPTTP53MEN1KMT2ACYP1A2
SCHEMBL21829027 0.80 MAPT (1.00) MAPTTP53POLBMEN1KMT2A
SCHEMBL21828975 0.80 MAPT (0.70) MAPTTP53POLBMEN1KMT2A
SCHEMBL21829001 0.80 MAPT (0.70) MAPTTP53POLBMEN1KMT2A
SCHEMBL21828994 0.79 MAPT (0.61) MAPTTP53POLBMEN1KMT2A

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 4381/4885TP53 166/4885POLB 511/4885

“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.