SCHEMBL21828975

SCHEMBL21828975

O=C(Nc1ccccc1F)c1cc2c(cc1Br)OCO2

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
PKM P14618 3/20 0.64
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TP53 P04637 2/20 0.51
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.50
CASP6 P55212 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PTGS2 P35354 1/20 0.50
RXFP1 Q9HBX9 1/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL21829012 0.88 MAPT (0.64) MAPTRAB9ANPC1PKMMEN1
SCHEMBL21828973 0.84 MAPT (0.70) MAPTRAB9ANPC1PKMMEN1
SCHEMBL21829001 0.84 MAPT (0.70) MAPTRAB9ANPC1PKMMEN1
SCHEMBL29959525 0.82 MAPT (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21829006 0.82 MAPT (0.67) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21829027 0.82 MAPT (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21829007 0.81 MAPT (0.65) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21828991 0.81 MAPT (0.72) MAPTRAB9ANPC1PKMMEN1
SCHEMBL21829009 0.81 MAPT (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL21829016 0.80 MAPT (0.67) MAPTRAB9ANPC1MEN1KMT2A

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 4381/4885RAB9A 1646/4885NPC1 1661/4885

“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.