SCHEMBL456086

SCHEMBL456086

Brc1cccc(-c2c[c]c(I)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CYP1A2 P05177 1/20 0.40
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA1 P14867 3/20 0.38
BIRC5 O15392 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
IDO1 P14902 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15063834 0.82 METAP2 (0.37) MEN1KMT2AMETAP2CHRNB4CHRNA3
SCHEMBL15063620 0.82 RAB9A (0.41) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL457618 0.79 ALDH1A1 (0.42) RAB9AALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL458728 0.79 ALOX5 (0.47) MAOBPGR
SCHEMBL15063583 0.79 ACHE (0.39) RAB9AALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL458915 0.79 TAAR1 (0.48) IDO1
SCHEMBL15063387 0.79 NPC1 (0.42) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL15063703 0.79 RAB9A (0.39) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL15063944 0.79 RAB9A (0.39) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL459014 0.77 ALDH1A1 (0.43) ALDH1A1CYP1A2SMN1; SMN2TSHRGAA

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 RAB9A 3808/4885ALDH1A1 482/4885NPC1 3466/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 RAB9A 3808/4885ALDH1A1 482/4885NPC1 3466/4885

“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.