SCHEMBL5787508

SCHEMBL5787508

CC(C)N(C(=O)c1cnccc1C=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.36
KCNA5 P22460 4/20 0.33
HPGD P15428 3/20 0.33
KDM4C Q9H3R0 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
MCOLN3 Q8TDD5 2/20 0.33
KDM6B O15054 1/20 0.33
LMNA P02545 1/20 0.33
P2RX4 Q99571 1/20 0.33
RIPK1 Q13546 1/20 0.33
TP53 P04637 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL8828511 0.78 ROCK2 (0.47) SIRT3TDP1TSHRKCNA5KDM4C
SCHEMBL16217237 0.76 TDP1 (0.43) SIRT3TDP1KDM4CKDM4EALDH1A1
SCHEMBL2690224 0.76 KDM4C (0.37) SIRT3TDP1TSHRKCNA5HPGD
SCHEMBL29957748 0.76 KDM4C (0.37) SIRT3TDP1TSHRKCNA5HPGD
SCHEMBL15906582 0.75 TSHR (0.39) SIRT3TDP1TSHRKCNA5HPGD
SCHEMBL10526340 0.74 KDM4C (0.50) SIRT3TDP1KDM4CKDM4EALDH1A1
SCHEMBL29956489 0.74 KDM4C (0.50) SIRT3TDP1KDM4CKDM4EALDH1A1
SCHEMBL15899492 0.74 SIRT3 (0.36) SIRT3TDP1TSHRKCNA5KDM4C
SCHEMBL903465 0.73 PKM (0.37) TSHRHPGDKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL15899126 0.73 SIRT3 (0.35) SIRT3TDP1TSHRKCNA5KDM4C

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 10 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-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-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
EP-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP disclosed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO 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 SIRT3 228/4885TDP1 2976/4885TSHR 517/4885

“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.