SCHEMBL17218531

SCHEMBL17218531

CCc1cccc(CO/N=[C]\c2cccc(C#N)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ FFAR1 O14842 2/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GRM5 P41594 3/20 0.36
▸ MAOB P27338 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.34
▸ ENPP2 Q13822 1/20 0.34

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
SCHEMBL17218534 1.00 MRGPRX4 (0.39) MRGPRX4CYP2A6FFAR1FFAR4GLA
SCHEMBL17216886 0.96 MRGPRX4 (0.43) MRGPRX4CYP2A6FFAR1FFAR4GLA
SCHEMBL17216883 0.96 MRGPRX4 (0.43) MRGPRX4CYP2A6FFAR1FFAR4GLA
SCHEMBL17218055 0.90 CYP2A6 (0.46) MRGPRX4CYP2A6FFAR1GRM5MAOB
SCHEMBL17218056 0.90 CYP2A6 (0.46) MRGPRX4CYP2A6FFAR1GRM5MAOB
SCHEMBL17219308 0.90 CYP2A6 (0.46) MRGPRX4CYP2A6FFAR1FFAR4GLA
SCHEMBL17219310 0.90 CYP2A6 (0.46) MRGPRX4CYP2A6FFAR1FFAR4GLA
SCHEMBL17215460 0.90 MRGPRX4 (0.47) MRGPRX4FFAR1FFAR4GLAGRM5
SCHEMBL17215457 0.90 MRGPRX4 (0.47) MRGPRX4FFAR1FFAR4GLAGRM5
SCHEMBL17216369 0.90 KDM1A (0.33) MRGPRX4CYP2A6FFAR1GRM5SMN1; SMN2

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 MRGPRX4 1822/4885CYP2A6 471/4885FFAR1 1045/4885

“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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