SCHEMBL3122723

SCHEMBL3122723

CCN(C(=O)O)c1cccc(Cn2nc(-c3cccc(CO)c3)ccc2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ ADORA2A P29274 1/20 0.43

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
SCHEMBL3119810 0.92 MEN1 (0.50) METMEN1KMT2APDE4APDE4B
SCHEMBL3108392 0.91 MET (0.47) METMEN1KMT2APDE4APDE4B
SCHEMBL3109927 0.89 HDAC1 (0.45) METMEN1KMT2APDE4APDE4B
SCHEMBL3119589 0.86 MEN1 (0.50) METMEN1KMT2APDE4APDE4B
SCHEMBL3112440 0.86 MEN1 (0.50) METMEN1KMT2APDE4APDE4B
SCHEMBL3117740 0.86 MAPT (0.58) METMEN1KMT2APDE4APDE4B
SCHEMBL3117728 0.86 MAPT (0.58) METMEN1KMT2APDE4APDE4B
SCHEMBL3103580 0.83 MEN1 (0.48) METMEN1KMT2APDE4APDE4B
SCHEMBL2152510 0.82 HRH3 (0.48) METMEN1KMT2APDE4APDE4B
SCHEMBL3122686 0.82 HDAC1 (0.48) METMEN1KMT2AHDAC1

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 MET 1/4885MEN1 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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