SCHEMBL13545310

SCHEMBL13545310

CNc1ccc2c(c1)NC(=O)C(C)(CO)N2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.36
▸ MGAT2 Q10469 10/20 0.35
▸ MGAT1 P26572 4/20 0.35
▸ MGAT3 Q09327 3/20 0.35
▸ NQO2 P16083 1/20 0.33
▸ BRD4 O60885 2/20 0.32
▸ APP P05067 2/20 0.31
▸ MAPT P10636 2/20 0.31

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
SCHEMBL13382919 0.80 MGAT2 (0.40) HTR6MGAT2BRD4APPMAPT
SCHEMBL13382910 0.71 GAA (0.43) MAPT
SCHEMBL13545311 0.70 HTR6 (0.34) HTR6MGAT2
SCHEMBL23346087 0.69 — —
SCHEMBL13545349 0.68 PDK2 (0.52) HTR6
SCHEMBL14566623 0.68 PDK2 (0.52) —
SCHEMBL13382920 0.65 HTR6 (0.38) HTR6BRD4MAPT
SCHEMBL13545259 0.65 KDM4E (0.56) BRD4
SCHEMBL13382908 0.64 SMYD3 (0.43) APPMAPT
SCHEMBL27464267 0.64 HTR6 (0.37) HTR6NQO2APPMAPT

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 — — 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 (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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 HTR6 1987/4885MGAT2 1988/4885MGAT1 1329/4885

“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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