SCHEMBL17313258

SCHEMBL17313258

CNC(=O)c1cnccc1C=C1Cc2cc(OC)c(OC)cc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HASPIN Q8TF76 1/20 0.54
▸ PDE4D Q08499 2/20 0.50
▸ CES2 O00748 2/20 0.47
▸ MAOB P27338 2/20 0.47
▸ ABCB1 P08183 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ ACHE P22303 4/20 0.46
▸ APP P05067 1/20 0.45

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
SCHEMBL17313255 1.00 HASPIN (0.54) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17313365 0.90 HASPIN (0.56) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17313366 0.90 HASPIN (0.56) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17313252 0.89 HASPIN (0.54) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17313250 0.89 HASPIN (0.54) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17313350 0.81 HASPIN (0.57) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17313351 0.81 HASPIN (0.57) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17321166 0.80 HASPIN (0.47) HASPINPDE4DCES2MAOBABCB1
SCHEMBL17320401 0.78 CYP19A1 (0.43) HASPINPDE4DCES2
SCHEMBL17321129 0.76 ACHE (0.67) ACHE

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-9376387-B2 Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents INSA INST NAT DES SCIENCES APPLIQUEES DE ROUEN (FR) 2016-06-28 — — US disclosed
US-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (FR) 2015-12-10 — — 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-20150353493-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS CBR3, CBR1, CYB5R3 HASPIN 4507/4885PDE4D 4191/4885CES2 1391/4885

“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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