SCHEMBL15899385

SCHEMBL15899385

CC(=O)/C=C/NCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
RAB9A P51151 3/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 2/20 0.62
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH7 P40394 1/20 0.52
CYP2C9 P11712 1/20 0.47
LMNA P02545 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
GLA P06280 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
HTT P42858 1/20 0.44

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
SCHEMBL15899383 1.00 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL20587799 0.85 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL28831662 0.85 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL15905318 0.84 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL17320379 0.84 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL15903179 0.82 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL17320382 0.82 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL21095911 0.81 ALDH1A1 (0.54) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL17320383 0.80 HDAC1 (0.46) ALDH1A1RAB9ANPC1MAPTHPGD
SCHEMBL17313339 0.80 HDAC1 (0.46) ALDH1A1RAB9ANPC1MAPTHPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329268-B2 Processes for preparing medicaments for the treatment of cardiovascular diseases and intermediates for use therein BIAL-PORTELA & CA, S.A. (PT) 2019-06-25 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-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
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
EP-2948429-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (Institut National des Sciences Appliquees) de Rouen (FR) 2015-12-02 EP disclosed
WO-2014114742-A1 OXIDISABLE PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS ANTI-ALZHEIMER AGENTS INSA (INSTITUT NATIONAL DES SCIENCES APPLIQUÉES) DE ROUEN (FR) 2014-07-31 WO disclosed
EP-2759536-A1 Oxidisable pyridine derivatives, their preparation and use as anti-Alzheimer agents INSA (Institut National des Sciences Appliquees) de Rouen (FR) 2014-07-30 EP disclosed
EP-2759536-A1 Oxidisable pyridine derivatives, their preparation and use as anti-Alzheimer agents INSA (Institut National des Sciences Appliquees) de Rouen (FR) 2014-07-30 EP 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 (2 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 3811/4885RAB9A 2078/4885NPC1 748/4885
US-10329268-B2 Processes for preparing medicaments for the treatment of cardiovascular diseases and intermediates for use therein DBH, COMT, ADRB3 ALDH1A1 190/4885RAB9A 3867/4885NPC1 1059/4885

“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.