SCHEMBL21829006

SCHEMBL21829006

O=C(Nc1ccccc1-c1ccccc1)c1cc2c(cc1Br)OCO2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 8/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HTT P42858 4/20 0.49
PTGS2 P35354 1/20 0.48
TSHR P16473 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL21828975 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL21829001 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL21828973 0.82 MAPT (0.70) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL21828991 0.81 MAPT (0.72) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL21829027 0.80 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL29959525 0.80 MAPT (1.00) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL21829007 0.79 MAPT (0.65) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL21829009 0.79 MAPT (0.68) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL21829017 0.78 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL21829016 0.78 MAPT (0.67) MAPTKMT2AMEN1ALDH1A1LMNA

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
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

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 4381/4885KMT2A 2676/4885MEN1 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.