SCHEMBL21829028

SCHEMBL21829028

O=C(Nc1cccc2ccccc12)c1ccc2c(c1)OCO2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.77
▸ RAB9A P51151 14/20 0.68
▸ NPC1 O15118 12/20 0.68
▸ PKM P14618 4/20 0.68
▸ ALDH1A1 P00352 4/20 0.67
▸ MAPT P10636 6/20 0.66
▸ KDM4E B2RXH2 2/20 0.63
▸ SMN1; SMN2 Q16637 6/20 0.63
▸ GAA P10253 2/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ POLB P06746 1/20 0.57

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
SCHEMBL24004496 0.92 RAB9A (0.68) PTGS2RAB9ANPC1PKMALDH1A1
SCHEMBL21829029 0.90 RAB9A (0.64) PTGS2RAB9ANPC1PKMALDH1A1
SCHEMBL17131817 0.81 PTGS2 (0.86) PTGS2RAB9ANPC1PKMALDH1A1
SCHEMBL11830460 0.81 NPC1 (0.85) PTGS2RAB9ANPC1PKMALDH1A1
SCHEMBL21829027 0.80 MAPT (1.00) PTGS2RAB9ANPC1ALDH1A1MAPT
SCHEMBL29959525 0.80 MAPT (1.00) PTGS2RAB9ANPC1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL7335932 0.80 PLAU (0.57) PTGS2RAB9ANPC1PKMALDH1A1
SCHEMBL28401891 0.79 PTGS2 (0.77) PTGS2RAB9ANPC1PKMALDH1A1
SCHEMBL21914836 0.78 NPC1 (0.80) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL12368146 0.78 RAB9A (1.00) PTGS2RAB9ANPC1PKMALDH1A1

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
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 PTGS2 699/4885RAB9A 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.

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