SCHEMBL21829017

SCHEMBL21829017

Cc1cccc(NC(=O)c2cc3c(cc2Br)OCO3)c1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.45
PTGS2 P35354 2/20 0.45
POLB P06746 1/20 0.43
TOP1 P11387 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
SCHEMBL21829008 0.90 MAPT (0.67) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21829001 0.90 MAPT (0.70) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21829009 0.86 MAPT (0.68) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21829020 0.86 MAPT (0.60) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21829012 0.83 MAPT (0.64) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21829010 0.82 MAPT (0.63) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21829015 0.82 MEN1 (0.65) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL21829016 0.80 MAPT (0.67) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21829027 0.80 MAPT (1.00) MAPTKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL29959525 0.80 MAPT (1.00) MAPTKDM4EALDH1A1CYP1A2CYP3A4

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 5 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-12036319-B2 Polyvalent sting activating compositions and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 US disclosed
US-12036319-B2 Polyvalent sting activating compositions and uses thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-07-16 US disclosed
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 (2 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-12036319-B2 Polyvalent sting activating compositions and uses thereof STING1, CGAS, TLR7 MAPT 4293/4885KDM4E 2840/4885ALDH1A1 4874/4885
US-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS STING1, CGAS, MAVS MAPT 4381/4885KDM4E 2554/4885ALDH1A1 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.