SCHEMBL13382908

SCHEMBL13382908

CNc1ccc2c(c1)NC(=O)CN2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.43
▸ TP53 P04637 1/20 0.41
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ XIAP P98170 1/20 0.37
▸ BIRC2 Q13490 1/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APP P05067 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KIF11 P52732 6/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL24783495 0.93 CYP11B1 (0.47) SMYD3TP53CYP11B1CYP11B2XIAP
SCHEMBL11455059 0.77 EPHX2 (0.51) SMYD3TP53CYP11B1CYP11B2RAF1
SCHEMBL30509208 0.77 EPHX2 (0.51) SMYD3TP53CYP11B1CYP11B2RAF1
SCHEMBL23432583 0.76 CYP11B1 (0.43) SMYD3TP53CYP11B1CYP11B2XIAP
SCHEMBL23346087 0.75 — —
SCHEMBL22278373 0.74 CMA1 (0.56) SMYD3CYP11B1CYP11B2
SCHEMBL12361998 0.74 AHR (0.56) SMYD3CYP11B1CYP11B2MAPTKIF11
SCHEMBL15521357 0.74 AHR (0.56) SMYD3KIF11CRBNPKM
SCHEMBL11463464 0.73 AHR (0.55) SMYD3TP53CYP11B1CYP11B2RAF1
SCHEMBL3594659 0.73 CA9 (0.53) SMYD3TP53CYP11B1CYP11B2RAF1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010038803-A1 2-INDOLEACRYLAMIDE ANALOGUE 持田製薬株式会社 (JP) 2010-04-08 — — WO disclosed
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 SMYD3 236/4885TP53 3619/4885CYP11B1 162/4885

“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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