SCHEMBL3458580

SCHEMBL3458580

CCCCCCCCN([C]=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PAX8 Q06710 2/20 0.50
JAK2 O60674 1/20 0.50
KCNH2 Q12809 6/20 0.44
TACR1 P25103 1/20 0.42
ICMT O60725 1/20 0.41
ALB P02768 1/20 0.41
CNR2 P34972 2/20 0.39
TP53 P04637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GPX4 P36969 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
SCHEMBL15352674 1.00 NPC1 (0.50) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL16414652 1.00 NPC1 (0.50) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL7651316 1.00 NPC1 (0.50) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL16415140 1.00 NPC1 (0.50) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL7914609 1.00 NPC1 (0.50) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL707049 1.00 NPC1 (0.50) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL704306 0.98 NPC1 (0.47) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL489807 0.93 TDP1 (0.44) NPC1RAB9APAX8JAK2KCNH2
SCHEMBL709443 0.85 TP53 (0.43) NPC1RAB9APAX8JAK2TP53
SCHEMBL11825722 0.82 NPC1 (0.46) NPC1RAB9APAX8JAK2KCNH2

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 14 patents. 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
EP-2169010-A2 Method of producing organic pigment fine-particles, organic pigment fine-particles obtained thereby, liquid dispersion thereof, and composition thereof FUJIFILM Corporation (JP) 2010-03-31 EP disclosed
US-7071211-B2 Small organic molecules that increase the activity of gelatinase a in ocular cells BAUSCH & LOMB INC. (US) 2006-07-04 US disclosed
US-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells BAUSCH & LOMB INCORPORATED 2006-06-08 US disclosed
EP-1542687-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2005-06-22 EP disclosed
WO-2004028538-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2004-04-08 WO disclosed
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells BAUSCH & LOMB INCORPORATED 2004-04-08 US disclosed
EP-0137271-B1 METHOD OF IMPROVING THE LIGHT RESISTANCE OF A DYE IMAGE KONICA CORPORATION (JP) 1987-11-04 EP disclosed
US-4540653-A METAL COMPLEX, ANILINO COUPLER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1985-09-10 US disclosed
EP-0137271-A2 Method of improving the light resistance of a dye image KONICA CORPORATION (JP) 1985-04-17 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 (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-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells MMP3, MMP13, MMP1 NPC1 951/4885RAB9A 337/4885PAX8 527/4885
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells MMP1, MMP3, MMP10 NPC1 1146/4885RAB9A 721/4885PAX8 967/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 NPC1 2859/4885RAB9A 515/4885PAX8 4742/4885

“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.