SCHEMBL4515801

SCHEMBL4515801

NC(=S)NCCN1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA9 Q16790 4/20 0.63
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
ACHE P22303 1/20 0.49
NPC1 O15118 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
PRMT8 Q9NR22 1/20 0.45
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL4529538 0.98 CA12 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL29526410 0.88 CA12 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL4512998 0.86 HPGD (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL17799253 0.81 CA12 (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL5469432 0.80 CA12 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL14500263 0.80 HSD17B10 (0.70) CA12CA1CA2CA9ALDH1A1
SCHEMBL1606290 0.80 CA12 (0.66) CA12CA1CA2CA9KDM4E
Guanethidine SCHEMBL34753 0.79 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL8000929 0.79 CA12 (0.53) CA12CA1CA2CA9ALDH1A1
SCHEMBL2755851 0.79 CA12 (0.59) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981529-B1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO UNIV TEXAS (US) 2021-07-14 EP disclosed
EP-2981529-B1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO UNIV TEXAS (US) 2021-07-14 EP disclosed
US-10072022-B2 Oridonin analogs, compositions, and methods related thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-09-11 US disclosed
US-20170313716-A1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-11-02 US disclosed
US-20170313716-A1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-11-02 US disclosed
US-20170313716-A1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-11-02 US disclosed
US-9725460-B2 Oridonin analogs, compositions, and methods related thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-08-08 US disclosed
US-9725460-B2 Oridonin analogs, compositions, and methods related thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-08-08 US disclosed
US-9725460-B2 Oridonin analogs, compositions, and methods related thereto THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-08-08 US disclosed
WO-2017062436-A1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO ZHOU JIA (US) 2017-04-13 WO 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
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
EP-1709019-A2 THIAZOLE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2006-10-11 EP 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-20050288273-A1 Antibacterial agents BOYER FREDERICK E JR 2005-12-29 US disclosed
WO-2005068444-A2 THIAZOLE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-07-28 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10072022-B2 Oridonin analogs, compositions, and methods related thereto OPRK1, ANXA7, OPRD1 CA12 4789/4885CA1 4530/4885CA2 4501/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 CA12 4302/4885CA1 3622/4885CA2 3345/4885
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 CA12 4876/4885CA1 4770/4885CA2 4763/4885
US-20090029998-A1 Thiazole Derivatives and Use Thereof PDGFRB, PDGFRA, TEC CA12 4047/4885CA1 4521/4885CA2 4024/4885
US-20170313716-A1 ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO OPRK1, ANXA7, OPRD1 CA12 4789/4885CA1 4530/4885CA2 4501/4885
US-20050288273-A1 Antibacterial agents MRPL21, RPN2, FBL CA12 4254/4885CA1 4584/4885CA2 4547/4885
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 CA12 4876/4885CA1 4770/4885CA2 4763/4885

“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.