SCHEMBL17216779

SCHEMBL17216779

C=Cc1ccccc1CON=[C]c1cccc(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ABCB1 P08183 5/20 0.35
MAOB P27338 1/20 0.35
NFE2L2 Q16236 2/20 0.35
HTR1A P08908 2/20 0.34
DRD2 P14416 2/20 0.34
G6PC1 P35575 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
GRM5 P41594 1/20 0.33
CHRM5 P08912 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL17216778 1.00 MEN1 (0.38) MEN1NPC1RAB9AKMT2ACHRM2
SCHEMBL17216294 0.88 NPC1 (0.38) MEN1NPC1RAB9AKMT2AABCB1
SCHEMBL17216297 0.88 NPC1 (0.38) MEN1NPC1RAB9AKMT2AABCB1
SCHEMBL17219405 0.86 TP53 (0.34) MEN1NPC1RAB9AKMT2AGRM5
SCHEMBL17219403 0.86 TP53 (0.34) MEN1NPC1RAB9AKMT2AGRM5
SCHEMBL17218966 0.84 SIGMAR1 (0.30)
SCHEMBL17218967 0.84 SIGMAR1 (0.30)
SCHEMBL17216461 0.84 ALDH1A1 (0.32)
SCHEMBL17216460 0.84 ALDH1A1 (0.32)
SCHEMBL17218205 0.84 ALDH1A1 (0.33) MEN1KMT2AMAOBIDO1AGXT

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 MEN1 1163/4885NPC1 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.