SCHEMBL17217586

SCHEMBL17217586

COc1ccc(/[C]=N\OCc2cccc(C#N)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACP1 P24666 1/20 0.45
▸ VNN1 O95497 2/20 0.45
▸ FFAR1 O14842 2/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ MAOB P27338 7/20 0.43
▸ MAOA P21397 3/20 0.42
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL17217589 1.00 MEN1 (0.46) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17217036 0.91 IDO1 (0.43) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17217033 0.91 IDO1 (0.43) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17217497 0.90 MRGPRX4 (0.46) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL17217496 0.90 MRGPRX4 (0.46) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL17217603 0.89 RAB9A (0.49) MEN1ALDH1A1MAPTKMT2AMAOB
SCHEMBL17217606 0.89 RAB9A (0.49) MEN1ALDH1A1MAPTKMT2AMAOB
SCHEMBL17217577 0.88 IDO1 (0.47) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17217580 0.88 IDO1 (0.47) MEN1ALDH1A1MAPTTSHRHTT
SCHEMBL17215972 0.88 GRM5 (0.45) ALDH1A1KMT2AFFAR1FFAR4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940012-B1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF SUMITOMO CHEMICAL CO (JP) 2019-01-30 — — EP disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-26 — — US disclosed
EP-2940012-A1 TETRAZOLINONE COMPOUND AND APPLICATIONS THEREOF Sumitomo Chemical Company Limited (JP) 2015-11-04 — — EP 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 (1 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-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 MEN1 1163/4885ALDH1A1 2300/4885MAPT 4028/4885

“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.

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