SCHEMBL4081243

SCHEMBL4081243

COc1ccccc1N1CCN(C(N)=S)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.69
ALDH1A1 P00352 1/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C9 P11712 1/20 0.69
DRD2 P14416 3/20 0.61
DRD3 P35462 2/20 0.61
TSHR P16473 1/20 0.60
AKR1C3 P42330 1/20 0.58
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
HPGDS O60760 1/20 0.56
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR3A P46098 1/20 0.55
HTR6 P50406 1/20 0.55

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
SCHEMBL8362372 0.84 TSHR (0.68) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL30747784 0.84 TSHR (0.68) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7803129 0.84 DRD2 (0.61) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL28239990 0.84 CYP2C19 (0.69) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL27829788 0.81 AKR1C3 (0.83) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16026545 0.81 PKM (0.74) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7793932 0.79 AKR1C3 (0.68) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL3904994 0.79 KMT2A (0.68) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL14344837 0.79 DRD2 (0.63) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5239437 0.79 ALDH1A1 (0.55) CYP2C19ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists ARGENTA DISCOVERY LIMITED (GB) 2009-09-03 US disclosed
EP-1922312-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS Argenta Discovery Limited (GB) 2008-05-21 EP disclosed
WO-2007028999-A1 THIAZOLE COMPOUNDS AND THEIR USE AS PGD2 ANTAGONISTS ARGENTA DISCOVERY LIMITED (GB) 2007-03-15 WO disclosed
US-7087623-B2 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. (US) 2006-08-08 US disclosed
US-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof CUNY GREGORY D (US) 2004-11-25 US disclosed
US-6699866-B2 FOR THERAPY OF ADDICTION, ANXIETY, DEPRESSION, SEXUAL DYSFUNCTION, HYPERTENSION, MIGRAINE, ALZHEIMER'S DISEASE, OBESITY, EMESIS, PSYCHOSIS, ANALGESIA, SCHIZOPHRENIA, PARKINSON'S DISEASE, RESTLESS LEG SYNDROME, SLEEPING DISORDERS SEPRACOR INC. 2004-03-02 US disclosed
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-06-05 US disclosed
WO-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 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 (3 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-20040235913-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C CYP2C19 481/4885ALDH1A1 755/4885CYP1A2 428/4885
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C CYP2C19 481/4885ALDH1A1 755/4885CYP1A2 428/4885
US-20090221604-A1 Thiazole Compounds and Their Use as PGD2 Antagonists PTGDR2, PTGDR, PTGER2 CYP2C19 103/4885ALDH1A1 3327/4885CYP1A2 360/4885

“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.