SCHEMBL704307

SCHEMBL704307

CCCCCN(C=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
JAK2 O60674 1/20 0.49
RAB9A P51151 1/20 0.49
PAX8 Q06710 1/20 0.49
TACR1 P25103 1/20 0.44
KCNH2 Q12809 6/20 0.42
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
ICMT O60725 1/20 0.40
ALB P02768 1/20 0.40
ESR1 P03372 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
ALOX15 P16050 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7651322 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL16415141 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL16415177 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL707050 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL3458582 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL1685969 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL16414653 0.98 NPC1 (0.51) NPC1JAK2RAB9APAX8TACR1
SCHEMBL489809 0.94 TDP1 (0.46) NPC1JAK2RAB9APAX8TACR1
Chloromethane SCHEMBL7281088 0.91 NPC1 (0.44) NPC1JAK2RAB9APAX8TACR1
SCHEMBL709444 0.86 TP53 (0.44) NPC1JAK2RAB9APAX8TDP1

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 44 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
US-20150376124-A1 ANTI-CANCER COMPOSITIONS AND METHODS PENN STATE RES FOUND (US) 2015-12-31 US disclosed
US-9126911-B2 Anti-cancer compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-09-08 US disclosed
US-9126910-B2 Anti-cancer compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-09-08 US disclosed
US-9096505-B2 Anti-cancer compositions and methods THE PENN STATE RESEARCH FOUNDATION (US) 2015-08-04 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-20130253052-A1 ANTI-CANCER COMPOSITIONS AND METHODS THE PENN STATE RESEARCH FOUNDATION (US) 2013-09-26 US disclosed
US-20070167522-A1 Branched carboxylic acid compound and use thereof ONO PHARMACEUTICAL CO LTD 2007-07-19 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1782830-A1 PREVENTIVE AND/OR REMEDY FOR LOWER URINARY TRACT DISEASES CONTAINING EP4 AGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-09 EP disclosed
EP-1782829-A1 PREVENTIVE AND/OR REMEDY FOR HYPERKALEMIA CONTAINING EP4 AGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-09 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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

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

For each of this compound's patents that has machine-readable text (8 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-20150376124-A1 ANTI-CANCER COMPOSITIONS AND METHODS MKI67, BAX, BCL2 NPC1 1407/4885JAK2 325/4885RAB9A 3495/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 NPC1 2859/4885JAK2 1162/4885RAB9A 515/4885
US-20130253052-A1 ANTI-CANCER COMPOSITIONS AND METHODS MKI67, BAX, BCL2 NPC1 1407/4885JAK2 325/4885RAB9A 3495/4885
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 NPC1 1569/4885JAK2 2437/4885RAB9A 3973/4885
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL NPC1 2838/4885JAK2 1833/4885RAB9A 2748/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 NPC1 1697/4885JAK2 2316/4885RAB9A 3164/4885
US-20070167522-A1 Branched carboxylic acid compound and use thereof BDNF, CA1, BACE1 NPC1 603/4885JAK2 2376/4885RAB9A 414/4885
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.