SCHEMBL15828909

SCHEMBL15828909

Cc1ccc(/C=C2\CC(=O)N(CCN)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.61
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL15818351 0.83 MAPK1 (0.60) HDAC1MAPK1
SCHEMBL15818353 0.83 MAPK1 (0.60) HDAC1MAPK1
SCHEMBL31412069 0.80 HDAC1 (0.79) HDAC1
SCHEMBL29049364 0.76 HDAC1 (0.72) HDAC1
SCHEMBL29049353 0.76 HDAC1 (1.00) HDAC1
SCHEMBL29049385 0.76 HDAC1 (0.72) HDAC1
SCHEMBL29049344 0.76 HDAC1 (1.00) HDAC1
SCHEMBL15828918 0.76 HDAC1 (0.59) HDAC1
SCHEMBL15828904 0.74 CYP1A2 (0.46) HDAC1MEN1KMT2ACYP1A2MAPK1
SCHEMBL15816860 0.71 MAPK1 (0.74) MEN1KMT2AMAPK1

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-9115122-B2 Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-08-25 — — US disclosed
US-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-06-26 — — 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-20140179743-A1 NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) MAPK1, MAP3K1, MAP3K20 HDAC1 1301/4885MEN1 1957/4885KMT2A 3434/4885

“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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