SCHEMBL4528736

SCHEMBL4528736

CN1CCCC1CCNC(N)=S

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.42
ACKR3 P25106 3/20 0.42
CHRM4 P08173 1/20 0.41
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
GFER P55789 1/20 0.36
POLR1A O95602 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4747740 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL7963540 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL12156865 0.79 ACKR3 (0.52) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL18539297 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2ACKR3
SCHEMBL6395379 0.78 ACKR3 (0.51) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL49464 0.78 ACKR3 (0.51) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL9887516 0.77 ACKR3 (0.50) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL424247 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
SCHEMBL30988389 0.77 ALDH1A1 (0.48) ALDH1A1CYP1A2ACKR3CHRM4FPR3
Hydrochloric Acid SCHEMBL8689575 0.76 CYP1A2 (0.44) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150561-B2 Thiazole derivatives and use thereof MERCK SERONO S.A. (CH) 2015-10-06 US disclosed
US-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF MERCK SERONO S.A. (CH) 2014-08-14 US disclosed
US-8802861-B2 Thiazole derivatives and use thereof MERCK SERONO SA (CH) 2014-08-12 US disclosed
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN disclosed
US-20090029998-A1 Thiazole Derivatives and Use Thereof APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2009-01-29 US disclosed
EP-1709019-B1 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2007-08-08 EP disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN 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 (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-20140228365-A1 THIAZOLE DERIVATIVES AND USE THEREOF PF4, TEC, PDGFRB ALDH1A1 234/4885CYP1A2 2522/4885ACKR3 290/4885
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 ALDH1A1 755/4885CYP1A2 428/4885ACKR3 1181/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC ALDH1A1 174/4885CYP1A2 2078/4885ACKR3 698/4885
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 ALDH1A1 755/4885CYP1A2 428/4885ACKR3 1181/4885

“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.