SCHEMBL17218804

SCHEMBL17218804

CCCCC=NOCc1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.33
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ESR1 P03372 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACHE P22303 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL17218410 0.90 GAA (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL17217322 0.84 HNF4A (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL17219252 0.83 ALDH1A1 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL17216239 0.83 TLR8 (0.43) MEN1KMT2AALDH1A1MAPTTLR8
SCHEMBL17218699 0.80 HDAC3 (0.35) ESR1HDAC3HDAC1HDAC2
SCHEMBL17217788 0.78 IDO1 (0.45) SMN1; SMN2ALDH1A1GAAHPGDKDM4E
SCHEMBL17219274 0.76 L3MBTL1 (0.41) SMN1; SMN2GAAL3MBTL1ESR1HPGD
SCHEMBL17216579 0.76 MAOA (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL17217805 0.76 NPC1 (0.40) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL17219410 0.75 IDO1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1GAA

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 1163/4885KMT2A 2914/4885SMN1; SMN2 4013/4885

“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.