SCHEMBL21829015

SCHEMBL21829015

O=C(Nc1cccc2c1CCCC2)c1cc2c(cc1Br)OCO2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 4/20 0.63
TSHR P16473 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.50
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
TP53 P04637 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
SCHEMBL21829010 0.98 MAPT (0.63) MEN1KMT2AMAPTTSHRL3MBTL1
SCHEMBL21828998 0.84 MEN1 (0.69) MEN1KMT2AMAPTTSHRL3MBTL1
SCHEMBL21829017 0.82 MAPT (0.67) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL21829011 0.82 MEN1 (0.65) MEN1KMT2AMAPTTSHRL3MBTL1
SCHEMBL21829008 0.80 MAPT (0.67) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL21829001 0.79 MAPT (0.70) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28506638 0.79 MEN1 (0.65) MEN1KMT2AMAPTTSHRL3MBTL1
SCHEMBL12218573 0.79 MEN1 (1.00) MEN1KMT2AMAPTTSHRL3MBTL1
SCHEMBL21829009 0.78 MAPT (0.68) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL21829016 0.77 MAPT (0.67) MEN1KMT2AMAPTALDH1A1KDM4E

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 MEN1 4179/4885KMT2A 2676/4885MAPT 4381/4885

“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.