SCHEMBL458703

SCHEMBL458703

FC(F)(F)c1cccc(-c2c[c]c(Br)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
KDM1A O60341 1/20 0.44
KIF11 P52732 1/20 0.43
PGR P06401 1/20 0.42
ASIC3 Q9UHC3 1/20 0.42
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
NOTUM Q6P988 2/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
IDO1 P14902 1/20 0.40
BRD4 O60885 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SCN2A Q99250 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HTR2C P28335 1/20 0.38
CTSS P25774 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
SCHEMBL6988230 0.83 KDM1A (0.50) MAOBKDM1AKIF11PGRASIC3
SCHEMBL458004 0.81 PGR (0.47) MAOBKDM1AKIF11PGRASIC3
SCHEMBL15063618 0.80 KIF11 (0.48) MAOBKIF11NOTUM
SCHEMBL457115 0.80 MAOB (0.45) MAOBKDM1AKIF11PGRASIC3
SCHEMBL458519 0.80 MAOB (0.45) MAOBKDM1AKIF11PGRASIC3
SCHEMBL455854 0.80 MAOB (0.45) MAOBKDM1AKIF11PGRASIC3
SCHEMBL1263144 0.78 TSHR (0.58) MAOBKDM1AKIF11PGRASIC3
SCHEMBL29678302 0.78 TSHR (0.58) MAOBKDM1AKIF11PGRASIC3
SCHEMBL15064180 0.77 TAAR1 (0.48) CA12CA9NOTUMPARP10PARP11
SCHEMBL15063620 0.77 RAB9A (0.41) MAOBPGRIDO1TSHRMAPK1

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 MAOB 172/4885KDM1A 1889/4885KIF11 2572/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 MAOB 172/4885KDM1A 1889/4885KIF11 2572/4885

“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.