SCHEMBL17217547

SCHEMBL17217547

COc1cccc(CO/N=[C]\c2ccc(C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.49
▸ IDO1 P14902 2/20 0.49
▸ AGXT P21549 2/20 0.49
▸ CHRM2 P08172 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ TAAR1 Q96RJ0 3/20 0.42
▸ AOC3 Q16853 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ MMP13 P45452 1/20 0.41

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
SCHEMBL17217550 1.00 MAOB (0.49) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17217434 0.93 MAOB (0.54) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17217437 0.93 MAOB (0.54) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17215826 0.89 IDO1 (0.51) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17215827 0.89 IDO1 (0.51) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17218736 0.88 MAOB (0.49) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17217283 0.88 IDO1 (0.48) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17219742 0.88 MAOB (0.50) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17215998 0.88 MAOB (0.54) MAOBIDO1AGXTCHRM2CHRM1
SCHEMBL17217606 0.88 RAB9A (0.49) MAOBIDO1AGXTCHRM2CHRM1

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 MAOB 3611/4885IDO1 2882/4885AGXT 1423/4885

“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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