SCHEMBL12043669

SCHEMBL12043669

COc1cc2c(cc1OC)C(=O)N(C(C)C)C2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MAP3K5 Q99683 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ KCNH2 Q12809 1/20 0.43
▸ ACHE P22303 3/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ ATM Q13315 1/20 0.39

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
SCHEMBL10296104 0.84 MEN1 (0.65) MEN1KMT2ACYP3A4HRH3BRD4
SCHEMBL13015322 0.82 KCNH2 (0.41) MEN1KMT2AMAP3K5KCNH2BRD4
SCHEMBL13015321 0.78 ALDH1A1 (0.48) MEN1KMT2ACYP3A4KCNH2ACHE
SCHEMBL12043662 0.78 KCNH2 (0.49) MEN1KMT2AKCNH2MAPT
SCHEMBL11923833 0.77 MEN1 (0.70) MEN1KMT2ACYP3A4ACHEBRD4
SCHEMBL4079920 0.76 MEN1 (0.54) MEN1KMT2ACYP3A4ACHEALDH1A1
SCHEMBL19426183 0.76 KCNH2 (0.38) MAP3K5KCNH2MAPT
SCHEMBL27401573 0.76 KCNH2 (0.41) MAP3K5KCNH2
SCHEMBL13322639 0.75 KCNH2 (0.53) KMT2AMAP3K5KCNH2BRD4PLK1
SCHEMBL4260662 0.74 PTPN1 (0.35) MEN1KMT2AKCNH2ALDH1A1GAA

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
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 — — EP disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 — — US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 — — US disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 — — US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 — — US 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 MEN1 4080/4885KMT2A 1331/4885MAP3K5 1453/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 MEN1 3622/4885KMT2A 1743/4885MAP3K5 8/4885

“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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