SCHEMBL17217533

SCHEMBL17217533

C=Cc1ccccc1CON=[C]c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MAOB P27338 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA6 P23280 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL17217530 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2GAAMAOB
SCHEMBL17216460 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17216461 0.88 ALDH1A1 (0.32) ALDH1A1
SCHEMBL17215664 0.88 ADRA2C (0.34) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL17215666 0.88 ADRA2C (0.34) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL17218126 0.86 ALDH1A1 (0.35) NPC1RAB9AL3MBTL1MEN1KMT2A
SCHEMBL17219145 0.86 PIK3CG (0.33) MEN1KMT2AMAPTALDH1A1
SCHEMBL17219143 0.86 PIK3CG (0.33) MEN1KMT2AMAPTALDH1A1
SCHEMBL17216948 0.86
SCHEMBL17217515 0.86 PIK3CG (0.34) L3MBTL1ALDH1A1LMNA

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.