SCHEMBL17216003

SCHEMBL17216003

CCC=NOCc1cccc(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.51
NAAA Q02083 2/20 0.45
FFAR1 O14842 3/20 0.41
NR4A2 P43354 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
PRMT3 O60678 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
BCL2 P10415 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP12 P39900 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
MMP9 P14780 1/20 0.37

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
SCHEMBL17220551 0.88 AGXT (0.49) AGXTNAAAFFAR1NR4A2CYP3A4
SCHEMBL17216167 0.85 AGXT (0.46) AGXTNAAAFFAR1NR4A2CYP3A4
SCHEMBL17215777 0.85 IDO1 (0.47) AGXTNAAA
SCHEMBL215143 0.85 NPC1 (0.44) AGXTTSHR
SCHEMBL215142 0.85 NPC1 (0.44) AGXTTSHR
SCHEMBL17219819 0.82 TP53 (0.34) AGXTCYP3A4BCL2
SCHEMBL17217746 0.81 AGXT (0.51) AGXTNAAAFFAR1NR4A2CYP3A4
SCHEMBL17216915 0.81 CYP3A4 (0.51) AGXTCYP3A4
SCHEMBL17216250 0.81 IDO1 (0.51) MMP2MMP12MMP9GPR84
SCHEMBL17218200 0.80 AGXT (0.50) AGXTNAAAFFAR1NR4A2CYP3A4

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 AGXT 1423/4885NAAA 3413/4885FFAR1 1045/4885

“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.