SCHEMBL5430076

SCHEMBL5430076

[O]Cc1cc(F)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
DPP4 P27487 2/20 0.36
RIPK1 Q13546 1/20 0.36
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KMT2A Q03164 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
IDO1 P14902 2/20 0.32
AGXT P21549 2/20 0.32
DAO P14920 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
PLEC Q15149 1/20 0.32

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
SCHEMBL17979919 0.83 PKM (0.36) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL15351654 0.82 PKM (0.42) PKMDPP4RIPK1KMT2AIDO1
SCHEMBL322033 0.82 GABRA1 (0.39) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL156831 0.79 DPP4 (0.37) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL31021710 0.79 DPP4 (0.37) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL29374861 0.79 DPP4 (0.37) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL18908301 0.78 DPP4 (0.34) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL3075261 0.77 DPP4 (0.36) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL147653 0.77 DPP4 (0.36) PKMDPP4RIPK1FFAR1FFAR4
SCHEMBL4031071 0.77 IDO1 (0.41) PKMDPP4RIPK1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925360-B 1-heterocyclylisochromanyl compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2024-03-22 CN disclosed
CN-111925360-A 1-heterocyclyl isochroman compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2020-11-13 CN disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
CN-107531674-B 1-heterocyclyl isochroman compounds and analogs for the treatment of CNS disorders 赛诺维信制药公司 2020-07-31 CN disclosed
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-9565856-B2 Tetrazolinone compounds and its use as pesticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-14 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-19 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
US-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators ASTRAZENECA AB 2007-05-17 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 (3 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-20070112040-A1 Amino nicotinate derivatives as glucokinase (GLK) modulators GCK, GCKR, NADK PKM 138/4885DPP4 468/4885RIPK1 608/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 PKM 1989/4885DPP4 2265/4885RIPK1 2122/4885
US-20150051171-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES CBR3, CYCS, CBR1 PKM 1646/4885DPP4 2678/4885RIPK1 2813/4885

“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.