SCHEMBL459014

SCHEMBL459014

Ic1[c]cc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP3 P08254 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MGLL Q99685 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
KIF11 P52732 1/20 0.34
ALOX5 P09917 1/20 0.33
PTPN1 P18031 1/20 0.33
GSK3B P49841 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL15064026 0.83 METAP2 (0.30)
SCHEMBL15063826 0.79 BCL2L1 (0.35) BCL2L1PTPN1PTGS1
SCHEMBL15063698 0.79 ACHE (0.36) HSD17B10TDP1KIF11
SCHEMBL15063834 0.79 METAP2 (0.37) CYP3A4
SCHEMBL456086 0.77 RAB9A (0.40) ALDH1A1CYP1A2MAPK1HSD17B10MAPT
SCHEMBL15063782 0.76
SCHEMBL458915 0.76 TAAR1 (0.48) TAAR1CYP3A4PTPN1NOTUMCA12
SCHEMBL15063583 0.76 ACHE (0.39) ALDH1A1MAPK1HSD17B10NOTUMSMN1; SMN2
SCHEMBL458728 0.76 ALOX5 (0.47) TAAR1ALOX5
SCHEMBL455526 0.74 EGFR (0.36) ALDH1A1TAAR1MAPK1TDP1CA2

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 ALDH1A1 482/4885TAAR1 2943/4885CYP1A2 36/4885
US-20140378688-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF PDXK, DHPS, NQO1 ALDH1A1 482/4885TAAR1 2943/4885CYP1A2 36/4885

“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.