SCHEMBL17216883

SCHEMBL17216883

CCc1cccc(/[C]=N\OCc2cccc(C#N)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.43
▸ FFAR1 O14842 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ MAOB P27338 4/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ SCN8A Q9UQD0 1/20 0.37
▸ MAOA P21397 2/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ ALKBH1 Q13686 1/20 0.36
▸ CCR5 P51681 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
SCHEMBL17216886 1.00 MRGPRX4 (0.43) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17218534 0.96 MRGPRX4 (0.39) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17218531 0.96 MRGPRX4 (0.39) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17218886 0.92 CYP2A6 (0.47) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17219236 0.92 CYP2A6 (0.47) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17219237 0.92 CYP2A6 (0.47) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17218889 0.92 CYP2A6 (0.47) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17215460 0.91 MRGPRX4 (0.47) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17215457 0.91 MRGPRX4 (0.47) MRGPRX4FFAR1GLAFFAR4MAOB
SCHEMBL17216369 0.91 KDM1A (0.33) MRGPRX4FFAR1CYP2A6GRM5

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 1822/4885FFAR1 1045/4885GLA 4330/4885

“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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