SCHEMBL17320385

SCHEMBL17320385

COC(=O)/C=C(\C)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
CYP2C9 P11712 1/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CACNA1C Q13936 1/20 0.49
SCN9A Q15858 1/20 0.49
CA9 Q16790 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA14 Q9ULX7 1/20 0.49
CA5B Q9Y2D0 1/20 0.49

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
SCHEMBL7697326 1.00 ALDH1A1 (0.58) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL6590119 1.00 ALDH1A1 (0.58) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL7528187 0.86 MAPT (0.62) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL6734945 0.86 MAPT (0.62) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL28837948 0.84 ALDH1A1 (0.53) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL6667961 0.84 ALDH1A1 (0.63) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL6667963 0.84 ALDH1A1 (0.63) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL2551594 0.84 ALDH1A1 (0.60) ALDH1A1HPGDCA12CA2CA9
SCHEMBL19602217 0.83 MEN1 (0.53) ALDH1A1CYP2C9HPGDKDM4EMEN1
SCHEMBL17845067 0.83 MEN1 (0.53) ALDH1A1CYP2C9HPGDKDM4EMEN1

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 4 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-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
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 ALDH1A1 3811/4885CYP2C9 435/4885HPGD 755/4885

“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.