SCHEMBL3116312

SCHEMBL3116312

CCN(C(=O)O)c1cccc(Cn2nc(-c3ccc(C(=O)NCCCCN)cc3)ccc2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 14/20 0.49
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ GCGR P47871 1/20 0.41

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
SCHEMBL3122686 0.90 HDAC1 (0.48) HDAC1MEN1KMT2A
SCHEMBL3114908 0.88 HDAC1 (0.43) HDAC1MEN1KMT2AGCGR
SCHEMBL3112440 0.84 MEN1 (0.50) HDAC1MEN1KMT2A
SCHEMBL27799425 0.84 HDAC1 (0.52) HDAC1MEN1KMT2A
SCHEMBL3119589 0.83 MEN1 (0.50) HDAC1MEN1KMT2A
SCHEMBL3112748 0.82 GCGR (0.42) HDAC1MEN1KMT2AGCGR
SCHEMBL3108456 0.81 MEN1 (0.48) HDAC1MEN1KMT2A
SCHEMBL3119810 0.81 MEN1 (0.50) HDAC1MEN1KMT2A
SCHEMBL3108392 0.80 MET (0.47) HDAC1MEN1KMT2A
SCHEMBL13247316 0.80 MET (0.64) HDAC1

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-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 — — US disclosed
US-20100179148-A1 PYRIDAZINONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-07-15 — — 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-20100179148-A1 PYRIDAZINONE DERIVATIVES MET, ERBB2, RET HDAC1 1192/4885MEN1 121/4885KMT2A 1002/4885

“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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