SCHEMBL15064086

SCHEMBL15064086

Cc1cccc(-c2c[c]c(Br)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
ACHE P22303 1/20 0.39
ENPP3 O14638 1/20 0.39
MAP4K4 O95819 1/20 0.37
AR P10275 1/20 0.37
FYN P06241 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
PGR P06401 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL15063620 0.81 RAB9A (0.41) ALDH1A1MAPK1RAB9ANPC1SMN1; SMN2
SCHEMBL512908 0.81 ACHE (0.42) ALDH1A1HSD17B1HSD17B2ACHEENPP3
SCHEMBL15063844 0.78 ALDH1A1 (0.40) ALDH1A1ACHEENPP3RAB9ANPC1
SCHEMBL15064180 0.78 TAAR1 (0.48) MAP4K4NOTUMPARP10PARP11IDO1
SCHEMBL15063939 0.78 ESR2 (0.47) MAP4K4PGR
SCHEMBL15063583 0.78 ACHE (0.39) ALDH1A1MAPK1HSD17B1HSD17B2ACHE
SCHEMBL456858 0.78 METAP2 (0.35) METAP2
SCHEMBL15063924 0.78 ACHE (0.42) ALDH1A1HSD17B1HSD17B2ACHEENPP3
SCHEMBL456616 0.78 AKR1C2 (0.40) ALDH1A1HSD17B1HSD17B2ACHEENPP3
SCHEMBL15063935 0.77 CYP1A1 (0.47) HSD17B2MAP4K4ARCLK4RAB9A

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 7 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
US-20130172556-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-04 US 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 ALDH1A1 482/4885MAPK1 3269/4885HSD17B1 870/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885MAPK1 3269/4885HSD17B1 870/4885

“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.