SCHEMBL17218713

SCHEMBL17218713

COc1cccc([C]=NOCc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.44
▸ AGXT P21549 3/20 0.43
▸ IDO1 P14902 2/20 0.42
▸ CASR P41180 1/20 0.42
▸ FFAR1 O14842 5/20 0.41
▸ NR4A2 P43354 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ HTR5A P47898 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL17218712 1.00 MAOB (0.44) MAOBAGXTIDO1CASRFFAR1
SCHEMBL17216887 0.91 MAOB (0.46) MAOBFFAR1NAAA
SCHEMBL17216890 0.91 MAOB (0.46) MAOBFFAR1NAAA
SCHEMBL17217355 0.91 MAOB (0.54) MAOBAGXTIDO1FFAR1HTR1A
SCHEMBL17217352 0.91 MAOB (0.54) MAOBAGXTIDO1FFAR1HTR1A
SCHEMBL17215703 0.90 FFAR1 (0.48) MAOBAGXTCASRFFAR1PPARD
SCHEMBL17215702 0.90 FFAR1 (0.48) MAOBAGXTCASRFFAR1PPARD
SCHEMBL17219080 0.89 IDO1 (0.53) MAOBAGXTIDO1HTR1A
SCHEMBL17219078 0.89 IDO1 (0.53) MAOBAGXTIDO1HTR1A
SCHEMBL17215826 0.88 IDO1 (0.51) MAOBAGXTIDO1HTR1ASIGMAR1

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 3611/4885AGXT 1423/4885IDO1 2882/4885

“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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