SCHEMBL17218182

SCHEMBL17218182

CCc1cccc([C]=NOCc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 2/20 0.45
▸ BCL2 P10415 1/20 0.43
▸ NAAA Q02083 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ FFAR1 O14842 5/20 0.40
▸ AKR1B1 P15121 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ MMP12 P39900 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ PRMT3 O60678 1/20 0.36
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ PRMT8 Q9NR22 1/20 0.36

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
SCHEMBL17218178 1.00 AGXT (0.45) AGXTBCL2NAAAPTGS2FFAR1
SCHEMBL17216746 0.92 BCL2 (0.40) AGXTBCL2NAAAPTGS2FGFR1
SCHEMBL17216748 0.92 BCL2 (0.40) AGXTBCL2NAAAPTGS2FGFR1
SCHEMBL17216570 0.90 TP53 (0.39) TSHR
SCHEMBL17216567 0.90 TP53 (0.39) TSHR
SCHEMBL17216360 0.89 AGXT (0.45) AGXTBCL2NAAAPTGS2FFAR1
SCHEMBL17216363 0.89 AGXT (0.45) AGXTBCL2NAAAPTGS2FFAR1
SCHEMBL17216369 0.89 KDM1A (0.33) AGXTFFAR1CYP3A4
SCHEMBL17216425 0.89 AGXT (0.53) AGXTNAAAFFAR1AKR1B1FFAR4
SCHEMBL17216423 0.89 AGXT (0.53) AGXTNAAAFFAR1AKR1B1FFAR4

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 1423/4885BCL2 1159/4885NAAA 3413/4885

“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.

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