SCHEMBL17218485

SCHEMBL17218485

N#Cc1cccc(/[C]=N\OCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MMP12 P39900 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ NAAA Q02083 2/20 0.39
▸ IDO1 P14902 2/20 0.39
▸ AGXT P21549 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GSTP1 P09211 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ GPR34 Q9UPC5 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
SCHEMBL17218490 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17217419 0.91 MAOB (0.46) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17217417 0.91 MAOB (0.46) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17217970 0.90 GABRG2 (0.45) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17217968 0.90 GABRG2 (0.45) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17218724 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17218720 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17218188 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17218190 0.87 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GAAGABRG2
SCHEMBL17217275 0.85 IDO1 (0.48) 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 NPC1 1841/4885RAB9A 399/4885SMN1; SMN2 4013/4885

“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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