SCHEMBL16442907

SCHEMBL16442907

Cc1cccc(-n2nnn(C)c2=O)c1COc1ccc(Br)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
CXCR5 P32302 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL16442887 0.91 AR (0.33) SLC22A12MAOAMAOB
SCHEMBL17796255 0.89 SMN1; SMN2 (0.37) L3MBTL1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL16206081 0.87 SLC22A12 (0.33) L3MBTL1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL17796280 0.86 SLC22A12 (0.32) L3MBTL1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL17806092 0.86 CD274 (0.35) L3MBTL1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL16442880 0.85 SMN1; SMN2 (0.35) L3MBTL1SMN1; SMN2MAPT
SCHEMBL17806090 0.85 ALDH1A1 (0.33) L3MBTL1SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL17804505 0.84 KCNH2 (0.35) NPC1PKMRAB9AALDH1A1MAPT
SCHEMBL16206086 0.84 SMN1; SMN2 (0.34) L3MBTL1SMN1; SMN2NPC1PKMRAB9A
SCHEMBL16206100 0.84 PPARG (0.34) SMN1; SMN2NPC1RAB9ASLC22A12MAOA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 L3MBTL1 170/4885SMN1; SMN2 3877/4885NPC1 3262/4885

“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.