SCHEMBL17218931

SCHEMBL17218931

N#Cc1cccc(/[C]=N\OCc2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ VNN1 O95497 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAOB P27338 8/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ PTGER1 P34995 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ FFAR1 O14842 2/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL17218932 1.00 LRRK2 (0.40) LRRK2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17218724 0.90 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218720 0.90 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17215904 0.89 IDO1 (0.35) LRRK2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17215905 0.89 IDO1 (0.35) LRRK2NPC1RAB9ASMN1; SMN2GAA
SCHEMBL17217917 0.87 MAOB (0.44) SMN1; SMN2MAOBNR4A2FFAR1FFAR4
SCHEMBL17219652 0.87 MRGPRX4 (0.42) NPC1RAB9ASMN1; SMN2GAAMAOB
SCHEMBL17219654 0.87 MRGPRX4 (0.42) NPC1RAB9ASMN1; SMN2GAAMAOB
SCHEMBL17217920 0.87 MAOB (0.44) SMN1; SMN2MAOBNR4A2FFAR1FFAR4
SCHEMBL17216564 0.87 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1

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 LRRK2 201/4885NPC1 1841/4885RAB9A 399/4885

“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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