SCHEMBL3117528

SCHEMBL3117528

O=C(O)Nc1cccc(Cn2nc(-c3ccc(O)cc3)ccc2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.59
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48

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
SCHEMBL2469567 0.90 MET (0.67) METMEN1KMT2AALDH1A1
SCHEMBL2493573 0.90 MET (0.61) METMEN1KMT2ATP53MAPT
SCHEMBL2672593 0.90 ALDH1A1 (0.59) METMEN1KMT2ATP53MAPT
SCHEMBL3111915 0.90 MET (0.58) METMEN1KMT2ATP53MAPT
Hydrochloric Acid SCHEMBL2673128 0.89 ALDH1A1 (0.58) METMEN1KMT2ATP53MAPT
SCHEMBL13249460 0.88 MET (0.78) METMEN1KMT2AUSP2PKM
SCHEMBL2472096 0.87 MET (0.56) METMEN1KMT2ATP53MAPT
SCHEMBL2470219 0.86 MET (0.62) METMEN1KMT2AMAPT
SCHEMBL2468273 0.86 MET (0.61) METMEN1KMT2ATP53MAPT
SCHEMBL2464489 0.86 MET (0.79) MET

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-8445489-B2 Aryl ether pyridazinone derivatives MERCK PATENT GMBH (DE) 2013-05-21 — — US disclosed
US-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter 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-20100179149-A1 ARYL ETHER PYRIDAZINONE DERIVATIVES MET, RET, ERBB2 MET 1/4885MEN1 488/4885KMT2A 505/4885

“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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