SCHEMBL17216596

SCHEMBL17216596

Cc1ccccc1CO/N=[C]\c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.38
MAOB P27338 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2A6 P11509 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PGGT1B P53609 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL17216598 1.00 NPC1 (0.40) NPC1RAB9ASMN1; SMN2L3MBTL1GAA
SCHEMBL17218492 0.88 MAOB (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1MAOB
SCHEMBL17218495 0.88 MAOB (0.38) NPC1RAB9ASMN1; SMN2L3MBTL1MAOB
SCHEMBL17217446 0.87 MAOB (0.40) MAOBKDM4EALDH1A1KMT2AADRA2A
SCHEMBL17217447 0.87 MAOB (0.40) MAOBKDM4EALDH1A1KMT2AADRA2A
SCHEMBL17219519 0.87 SCN8A (0.36) RAB9ASMN1; SMN2L3MBTL1GAAMAOB
SCHEMBL17219517 0.87 SCN8A (0.36) RAB9ASMN1; SMN2L3MBTL1GAAMAOB
SCHEMBL17216631 0.85 MAOB (0.36) NPC1RAB9AL3MBTL1MAOBKDM4E
SCHEMBL17216629 0.85 MAOB (0.36) NPC1RAB9AL3MBTL1MAOBKDM4E
SCHEMBL17215906 0.85 TP53 (0.38) NPC1RAB9AMAOBKDM4EMAPT

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.