SCHEMBL17218580

SCHEMBL17218580

N#Cc1ccc(CO/N=[C]\c2cccc(Br)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

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
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CCR5 P51681 4/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MAOB P27338 6/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34

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
SCHEMBL17218581 1.00 NPC1 (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217303 0.89 CCR5 (0.45) CCR5MAOBSLC6A4
SCHEMBL17217300 0.89 CCR5 (0.45) CCR5MAOBSLC6A4
SCHEMBL17218720 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218724 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217972 0.85 MAOB (0.49) MAOB
SCHEMBL17217973 0.85 MAOB (0.49) MAOB
SCHEMBL17217382 0.84 MAOB (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1MAOB
SCHEMBL17216290 0.84 CCR5 (0.39) L3MBTL1CCR5MAPTMAOB
SCHEMBL17216293 0.84 CCR5 (0.39) L3MBTL1CCR5MAPTMAOB

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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