SCHEMBL459060

SCHEMBL459060

CCc1cnc(-c2ccc(Cl)cc2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 3/20 0.40
KMO O15229 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
MAP4K4 O95819 1/20 0.39
USP7 Q93009 1/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC22A1 O15245 1/20 0.39
DHFR P00374 1/20 0.39
CYP1A2 P05177 1/20 0.39
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
CYP3A4 P08684 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
SCHEMBL458207 0.84 NPC1 (0.44) SMN1; SMN2NPC1RAB9AKDM4EMAPK1
SCHEMBL456854 0.80 HEXA (0.43) MAP4K4HEXAHEXBKDM1AMAOB
SCHEMBL458804 0.78 CYP3A4 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1KMO
SCHEMBL559918 0.75 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL31167821 0.74 MAP4K4 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KMO
SCHEMBL18398211 0.73 NOS3 (0.47) SMN1; SMN2DHFRTDP1NOS3NOS1
SCHEMBL28761417 0.72 MAPT (0.45) NPC1RAB9AALDH1A1KMOKDM4E
Formic Acid Methyl Ester SCHEMBL28061246 0.71 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL358331 0.70 CYP3A4 (0.54) SMN1; SMN2ALDH1A1MAPK1TSHRTP53
SCHEMBL29758099 0.70 CYP3A4 (0.54) SMN1; SMN2ALDH1A1MAPK1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3045450-B1 INTERMEDIATE COMPOUNDS IN PROCESSES FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2018-02-07 EP disclosed
EP-3045450-A1 INTERMEDIATE COMPOUNDS IN A PROCESS FOR PRODUCING PYRIDAZINONE COMPOUNDS SUMITOMO CHEMICAL CO., LTD. (JP) 2016-07-20 EP disclosed
EP-2614053-B1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATES THEREOF SUMITOMO CHEMICAL CO (JP) 2016-03-23 EP disclosed
US-9040709-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL CO (JP) 2014-12-25 US disclosed
US-8884010-B2 Method for producing pyridazinone compounds and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-11-11 US disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 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 (2 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-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 SMN1; SMN2 2907/4885NPC1 3466/4885RAB9A 3808/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 SMN1; SMN2 2907/4885NPC1 3466/4885RAB9A 3808/4885

“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.