SCHEMBL21828972

SCHEMBL21828972

COc1cc(Br)c(C(=O)Nc2cccc3ccccc23)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.61
▸ ALDH1A1 P00352 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ NPC1 O15118 5/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ RAB9A P51151 4/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ HPGD P15428 1/20 0.54
▸ TP53 P04637 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAPK14 Q16539 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
SCHEMBL21828989 0.85 KMT2A (0.66) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL24004518 0.84 KMT2A (0.64) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL21829026 0.81 KMT2A (0.56) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL21828987 0.80 MAPT (0.69) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL21829022 0.79 KMT2A (0.69) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL18572523 0.79 KCNMA1 (0.63) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL21829030 0.78 NPC1 (0.68) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL26565632 0.77 ALDH1A1 (0.58) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL1351165 0.77 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL21828981 0.76 MAPT (0.60) MAPTALDH1A1SMN1; SMN2LMNANPC1

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 8 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 claimed
CN-112888688-A Benzamide derivatives as CGAS-STING pathway agonists 巴鲁克斯布伦博格研究所 2021-06-01 — — CN claimed
WO-2020072492-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE (US) 2020-04-09 — — WO claimed
US-12509436-B2 Benzamide derivatives as cGAS-sting pathway agonists BARUCH S. BLUMBERG INSTITUTE (US) 2025-12-30 — — US disclosed
US-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE 2021-11-11 — — US disclosed
US-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS BARUCH S. BLUMBERG INSTITUTE 2021-11-11 — — US disclosed
CN-112888688-A Benzamide derivatives as CGAS-STING pathway agonists 巴鲁克斯布伦博格研究所 2021-06-01 — — CN 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-12509436-B2 Benzamide derivatives as cGAS-sting pathway agonists STING1, CGAS, IFNAR1 MAPT 4812/4885ALDH1A1 4236/4885SMN1; SMN2 4240/4885
US-20210347752-A1 BENZAMIDE DERIVATIVES AS CGAS-STING PATHWAY AGONISTS STING1, CGAS, MAVS MAPT 4381/4885ALDH1A1 3145/4885SMN1; SMN2 4096/4885

“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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