SCHEMBL704306

SCHEMBL704306

CCCCCN([C]=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
TACR1 P25103 1/20 0.43
KCNH2 Q12809 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 1/20 0.40
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
ESR1 P03372 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7651316 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL707049 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL3458580 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL15352674 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL7914609 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL16415140 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL16414652 0.98 NPC1 (0.50) NPC1JAK2RAB9APAX8TACR1
SCHEMBL489807 0.94 TDP1 (0.44) NPC1JAK2RAB9APAX8TACR1
SCHEMBL709443 0.86 TP53 (0.43) NPC1JAK2RAB9APAX8TP53
SCHEMBL13159000 0.83 NPC1 (0.45) NPC1JAK2RAB9APAX8TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
EP-1695955-A1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-30 EP disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 EP disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 EP disclosed
US-6911450-B1 Pyrimidine acyclonucleoside derivatives, preparation method and use thereof UNIVERSITE DE GENEVE (CH) 2005-06-28 US disclosed
EP-1355887-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2003-10-29 EP disclosed
WO-2002060880-A1 PYRIMIDINE ACYCLONUCLEOSIDE DERIVATIVES, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE GENEVE (CH) 2002-08-08 WO disclosed
US-5834460-A FOR TREATMENT OF BRAIN OR PSYCHOLOGICAL DISORDERS, ALZHEIMER*S DISEASE, MENTAL RETARDATION OR AUTISM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-10 US disclosed
EP-0696586-A1 SERINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP 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-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 NPC1 226/4885JAK2 1077/4885RAB9A 3477/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 NPC1 2859/4885JAK2 1162/4885RAB9A 515/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 NPC1 1697/4885JAK2 2316/4885RAB9A 3164/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD NPC1 3730/4885JAK2 504/4885RAB9A 3221/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 NPC1 226/4885JAK2 1077/4885RAB9A 3477/4885

“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.