SCHEMBL17218119

SCHEMBL17218119

Fc1ccc(CO/N=[C]\c2cccc(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAOB P27338 8/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ IDO1 P14902 3/20 0.38
▸ AGXT P21549 3/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CACNA1G O43497 2/20 0.36
▸ RGS4 P49798 1/20 0.35
▸ RGS8 P57771 1/20 0.35

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
SCHEMBL17218122 1.00 CYP3A4 (0.42) CYP3A4CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL17218165 0.90 MAOB (0.42) CYP3A4MAOBIDO1AGXTMEN1
SCHEMBL17218163 0.90 MAOB (0.42) CYP3A4MAOBIDO1AGXTMEN1
SCHEMBL17217241 0.89 IDO1 (0.38) CYP3A4CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL17217238 0.89 IDO1 (0.38) CYP3A4CYP1A2CYP2D6CYP2C19MAOB
SCHEMBL17218006 0.87 MAOB (0.41) CYP3A4MAOBIDO1AGXTMAPT
SCHEMBL17217053 0.87 IDO1 (0.44) CYP3A4MAOBGRIN2BIDO1AGXT
SCHEMBL17218003 0.87 MAOB (0.41) CYP3A4MAOBIDO1AGXTMAPT
SCHEMBL17217050 0.87 IDO1 (0.44) CYP3A4MAOBGRIN2BIDO1AGXT
SCHEMBL17217431 0.87 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19MAOB

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 CYP3A4 266/4885CYP1A2 194/4885CYP2D6 815/4885

“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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