SCHEMBL16690358

SCHEMBL16690358

Cc1cccc(-c2ccc(COc3c(C)cccc3-n3nnn(C)c3=O)cc2)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
BRS3 P32247 1/20 0.32
GRM5 P41594 1/20 0.32
TGFBR1 P36897 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 2/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL18053088 0.90 CYP11B1 (0.33) CYP11B1CYP11B2ALDH1A1MAPTKDM4E
SCHEMBL18053075 0.87 TGFBR1 (0.34) TGFBR1CYP2A6TP53GAA
SCHEMBL16690360 0.87 BRD4 (0.41) CYP11B1CYP11B2BRS3GRM5MAPT
SCHEMBL16690344 0.86 PKM (0.39) ALDH1A1MAPTKDM4EHPGDPKM
SCHEMBL16690349 0.85 NPC1 (0.39) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL16690405 0.84 PKM (0.43) ALDH1A1MAPTHPGDPKMHTR1A
SCHEMBL18037164 0.83 MAOB (0.40) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL16384927 0.82 PPARD (0.35) TGFBR1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL17788111 0.81 MMP1 (0.32) TGFBR1CYP2A6TP53GAA
SCHEMBL16690347 0.80 PKM (0.41) ALDH1A1MAPTKDM4EHPGDPKM

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 8 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
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 CYP11B1 218/4885CYP11B2 189/4885BRS3 2481/4885
US-10091998-B2 Tetrazolinone compound and use thereof RO60, MT-CO1, ROS1 CYP11B1 262/4885CYP11B2 474/4885BRS3 2756/4885

“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.