SCHEMBL16690405

SCHEMBL16690405

Cc1cccc(-n2nnn(C)c2=O)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
PTGER4 P35408 4/20 0.41
PTGER3 P43115 4/20 0.41
PTGER2 P43116 4/20 0.41
PTGER1 P34995 2/20 0.41
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.39
BRD4 O60885 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL16690344 0.93 PKM (0.39) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL16690349 0.91 NPC1 (0.39) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL16690380 0.91 MRGPRX4 (0.42) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL16690347 0.91 PKM (0.41) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL16690429 0.89 MAOB (0.45) PTGER1MAOAMAOB
SCHEMBL18037164 0.89 MAOB (0.40) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL16690381 0.89 FFAR1 (0.43) PKML3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL16690383 0.88 NOTUM (0.38) PTGER4PTGER3PTGER2PTGER1HTT
SCHEMBL16690384 0.84 SCN8A (0.43) PTGER4PTGER3PTGER2PTGER1GAA
SCHEMBL16690358 0.84 CYP11B1 (0.33) PKML3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3064492-B1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME SUMITOMO CHEMICAL CO (JP) 2018-12-26 EP disclosed
US-10091998-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-10-09 US disclosed
EP-3064492-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME Sumitomo Chemical Company, Limited (JP) 2016-09-07 EP disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 US disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 US disclosed
US-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-01 US disclosed
WO-2015064727-A1 TETRAZOLINONE COMPOUND AND APPLICATION FOR SAME 住友化学株式会社 2015-05-07 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 (2 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-20160249617-A1 TETRAZOLINONE COMPOUND AND USE THEREOF TCOF1, TAOK2, CYC1 PKM 2986/4885L3MBTL1 537/4885SMN1; SMN2 3372/4885
US-10091998-B2 Tetrazolinone compound and use thereof RO60, MT-CO1, ROS1 PKM 2682/4885L3MBTL1 331/4885SMN1; SMN2 3382/4885

“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.