SCHEMBL880467

SCHEMBL880467

COC(=O)C1=C(C)NC(=O)CC1c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.78
TP53 P04637 5/20 0.70
GPBAR1 Q8TDU6 5/20 0.67
TSHR P16473 2/20 0.62
PKM P14618 1/20 0.58
LMNA P02545 1/20 0.54
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 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
SCHEMBL30593827 0.87 GPBAR1 (0.75) HTTTP53GPBAR1TSHRLMNA
SCHEMBL3891266 0.86 HTT (0.78) HTTTP53GPBAR1TSHRPKM
SCHEMBL10280315 0.86 HTT (0.78) HTTTP53GPBAR1TSHRPKM
SCHEMBL880375 0.86 HTT (0.78) HTTTP53GPBAR1TSHRPKM
SCHEMBL13522411 0.85 HTT (0.76) HTTTP53GPBAR1TSHRPKM
SCHEMBL17782158 0.85 TP53 (0.72) HTTTP53GPBAR1TSHRPKM
SCHEMBL3888823 0.85 GPBAR1 (0.65) HTTTP53GPBAR1TSHRLMNA
SCHEMBL17484770 0.84 HTT (0.66) HTTTP53GPBAR1TSHRPKM
SCHEMBL17478064 0.84 HTT (0.66) HTTTP53GPBAR1TSHRPKM
SCHEMBL3884420 0.84 HTT (0.66) HTTTP53GPBAR1TSHRPKM

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
WO-2017134188-A1 NOVEL DIHYDROPYRIDINONE AND DIHYDROPYRIMIDINONE COMPOUNDS AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2017-08-10 WO disclosed
WO-2017134188-A1 NOVEL DIHYDROPYRIDINONE AND DIHYDROPYRIMIDINONE COMPOUNDS AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2017-08-10 WO disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 WO disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
WO-2007089548-A2 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2007-08-09 WO disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (4 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT HTT 3/4885TP53 1529/4885GPBAR1 3453/4885
US-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 HTT 4525/4885TP53 3036/4885GPBAR1 2826/4885
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR HTT 2455/4885TP53 3689/4885GPBAR1 1068/4885
US-20100004277-A1 COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING GOLT1B, NPC1L1, NPC1 HTT 207/4885TP53 3445/4885GPBAR1 1890/4885

“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.