SCHEMBL17216088

SCHEMBL17216088

N#Cc1cccc(CO/N=[C]\c2cccc(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.54
▸ GRM5 P41594 2/20 0.49
▸ SLC6A4 P31645 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ MAOB P27338 4/20 0.41
▸ VNN1 O95497 1/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38

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
SCHEMBL17216089 1.00 MRGPRX4 (0.54) MRGPRX4GRM5SLC6A4CYP3A4IDO1
SCHEMBL17219555 0.96 MRGPRX4 (0.52) MRGPRX4GRM5SLC6A4CYP3A4IDO1
SCHEMBL17219554 0.96 MRGPRX4 (0.52) MRGPRX4GRM5SLC6A4CYP3A4IDO1
SCHEMBL17219737 0.91 CYP3A4 (0.51) MRGPRX4GRM5CYP3A4IDO1AGXT
SCHEMBL17219738 0.91 CYP3A4 (0.51) MRGPRX4GRM5CYP3A4IDO1AGXT
SCHEMBL17215457 0.90 MRGPRX4 (0.47) MRGPRX4GRM5SLC6A4MAOBFFAR1
SCHEMBL17215460 0.90 MRGPRX4 (0.47) MRGPRX4GRM5SLC6A4MAOBFFAR1
SCHEMBL17218965 0.89 MRGPRX4 (0.54) MRGPRX4GRM5SLC6A4CYP3A4IDO1
SCHEMBL17216855 0.89 NPC1 (0.45) MRGPRX4GRM5CYP3A4IDO1AGXT
SCHEMBL17216854 0.89 NPC1 (0.45) MRGPRX4GRM5CYP3A4IDO1AGXT

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 1822/4885GRM5 1017/4885SLC6A4 4321/4885

“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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