SCHEMBL17219236

SCHEMBL17219236

CCc1ccc(/[C]=N\OCc2cccc(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.47
▸ FFAR1 O14842 2/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.41
▸ MRGPRX4 Q96LA9 4/20 0.41
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ GRM5 P41594 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SCN8A Q9UQD0 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
SCHEMBL17219237 1.00 CYP2A6 (0.47) CYP2A6FFAR1FFAR4MRGPRX4NPC1
SCHEMBL17216883 0.92 MRGPRX4 (0.43) CYP2A6FFAR1FFAR4MRGPRX4GLA
SCHEMBL17216886 0.92 MRGPRX4 (0.43) CYP2A6FFAR1FFAR4MRGPRX4GLA
SCHEMBL17217497 0.90 MRGPRX4 (0.46) FFAR1FFAR4MRGPRX4NPC1RAB9A
SCHEMBL17217496 0.90 MRGPRX4 (0.46) FFAR1FFAR4MRGPRX4NPC1RAB9A
SCHEMBL17218889 0.89 CYP2A6 (0.47) CYP2A6FFAR1FFAR4MRGPRX4NPC1
SCHEMBL17218886 0.89 CYP2A6 (0.47) CYP2A6FFAR1FFAR4MRGPRX4NPC1
SCHEMBL17218055 0.89 CYP2A6 (0.46) CYP2A6FFAR1MRGPRX4NPC1RAB9A
SCHEMBL17218056 0.89 CYP2A6 (0.46) CYP2A6FFAR1MRGPRX4NPC1RAB9A
SCHEMBL17219308 0.89 CYP2A6 (0.46) CYP2A6FFAR1FFAR4MRGPRX4NPC1

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 CYP2A6 471/4885FFAR1 1045/4885FFAR4 2119/4885

“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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