SCHEMBL17218372

SCHEMBL17218372

CCc1ccc([C]=NOCc2cccc(CC)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.38
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ MAOB P27338 4/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ SOD1 P00441 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ AGXT P21549 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL17218370 1.00 CYP2A6 (0.38) CYP2A6TP53CYP1A2MAOBKDM1A
SCHEMBL17216012 0.91 IDO1 (0.36) MAOBKDM1AFFAR1SMN1; SMN2IDO1
SCHEMBL17216011 0.91 IDO1 (0.36) MAOBKDM1AFFAR1SMN1; SMN2IDO1
SCHEMBL17216533 0.91 TP53 (0.39) CYP2A6TP53CYP1A2KDM1AFFAR1
SCHEMBL17216535 0.91 TP53 (0.39) CYP2A6TP53CYP1A2KDM1AFFAR1
SCHEMBL17216410 0.90 NPC1 (0.40) MAOBNPC1RAB9ASIGMAR1IDO1
SCHEMBL17216462 0.90 KDM1A (0.38) MAOBKDM1AFFAR1SMN1; SMN2IDO1
SCHEMBL17216585 0.90 IDO1 (0.45) CYP2A6MAOBFFAR1IDO1MAPT
SCHEMBL17218055 0.90 CYP2A6 (0.46) CYP2A6MAOBFFAR1SMN1; SMN2NPC1
SCHEMBL17219061 0.90 MRGPRX4 (0.36) TP53MAOBSMN1; SMN2NPC1RAB9A

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 471/4885TP53 4563/4885CYP1A2 194/4885

“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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