SCHEMBL6486705

SCHEMBL6486705

O=C(O)c1ccc(Sc2ccc(Cl)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
LIG1 P18858 1/20 0.53
DAO P14920 4/20 0.48
PRSS12 P56730 1/20 0.45
ALAD P13716 1/20 0.44
HAO1 Q9UJM8 1/20 0.43
USP7 Q93009 1/20 0.43
PADI4 Q9UM07 1/20 0.43
CTRC Q99895 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RHEB Q15382 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11400591 0.85 PKM (0.51) PKMLIG1DAOPRSS12ALAD
SCHEMBL22588761 0.84 L3MBTL1 (0.48) PKMLIG1PRSS12USP7PADI4
SCHEMBL7060968 0.84 PKM (0.58) PKMLIG1DAOHSD17B1HSD17B2
SCHEMBL11404679 0.83 PKM (0.58) PKMLIG1DAOHSD17B1HSD17B2
SCHEMBL11392259 0.82 PKM (0.56) PKMLIG1DAOHSD17B1HSD17B2
SCHEMBL11400595 0.82 PKM (0.56) PKMLIG1DAOHSD17B1HSD17B2
SCHEMBL11392906 0.81 HSD17B1 (0.52) PKMLIG1DAOPRSS12USP7
SCHEMBL11398559 0.79 PKM (0.53) PKMLIG1DAOALDH1A1HPGD
SCHEMBL11399419 0.78 PKM (0.47) PKMLIG1DAOPRSS12ALAD
SCHEMBL11395377 0.76 HSD17B1 (0.50) PKMLIG1DAOHSD17B1HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
EP-1419161-A1 SUBSTITUTED-HETEROARYL-7-AZA 2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-05-19 EP disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed
US-6599916-B2 Treating a disease or condition in a mammal, wherein the alpha 7 nicotinic acetylcholine receptor is implicated, Alzheimer's disease, pre-senile dementia (mild cognitive impairment), or senile dementia. PHARMACIA & UPJOHN COMPANY 2003-07-29 US disclosed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed
US-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE PHARMACIA & UPJOHN COMPANY 2003-04-10 US disclosed
WO-2003018585-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1]BICYCLOHEPTANES FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2003-03-06 WO disclosed
US-6500840-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-31 US disclosed
US-6492385-B2 CENTRAL NERVOUS SYSTEM DISORDERS PHARMACIA & UPJOHN COMPANY 2002-12-10 US disclosed
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY GLOBAL INTELLECTUAL PROPERTY 2002-07-11 US disclosed
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 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 (5 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-20030069290-A1 SUBSTITUTED-HETEROARYL-7-AZA[2.2.1] BYCYCLOHEPTANES FOR THE TREATMENT OF DESEASE SULT1E1, UGT1A7, UGT1A1 PKM 4560/4885LIG1 1460/4885DAO 1162/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 PKM 4149/4885LIG1 2440/4885DAO 935/4885
US-20020042428-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 PKM 2752/4885LIG1 1813/4885DAO 1360/4885
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 PKM 4026/4885LIG1 1648/4885DAO 1098/4885
US-20020091135-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease NQO2, GBA1, UGT1A1 PKM 2752/4885LIG1 1813/4885DAO 1360/4885

“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.