SCHEMBL17796255

SCHEMBL17796255

Cc1cc(OCc2c(C)cccc2-n2nnn(C)c2=O)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
STAT3 P40763 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HBB P68871 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
VCP P55072 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
SCHEMBL16206081 0.91 SLC22A12 (0.33) SMN1; SMN2MAPTPOLBNPC1RAB9A
SCHEMBL17796280 0.91 SLC22A12 (0.32) SMN1; SMN2MAPTNPC1RAB9ASLC22A12
SCHEMBL16442825 0.90 ATM (0.38) MAPTPOLBMAPK1NPC1RAB9A
SCHEMBL16442880 0.90 SMN1; SMN2 (0.35) SMN1; SMN2MEN1KMT2AMAPTLMNA
SCHEMBL16442907 0.89 L3MBTL1 (0.31) SMN1; SMN2MAPTNPC1RAB9ASLC22A12
SCHEMBL16206086 0.89 SMN1; SMN2 (0.34) SMN1; SMN2MAPTNPC1RAB9ASLC22A12
SCHEMBL16206100 0.89 PPARG (0.34) SMN1; SMN2NPC1RAB9ASLC22A12MAOA
SCHEMBL16442885 0.88 MRGPRX4 (0.37) SLC22A12MAOAMAOB
SCHEMBL16442887 0.88 AR (0.33) LMNASLC22A12MAOAMAOB
SCHEMBL16206144 0.88 MAOB (0.44) KMT2ANPC1RAB9ASLC22A12MAOA

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 9 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
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
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

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 SMN1; SMN2 3877/4885MEN1 1396/4885KMT2A 3151/4885

“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.