SCHEMBL17216413

SCHEMBL17216413

CCc1cccc(CON=[C]c2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ AGXT P21549 2/20 0.38
▸ SIGMAR1 Q99720 5/20 0.38
▸ MAPT P10636 1/20 0.36
▸ MAOB P27338 3/20 0.36
▸ MRGPRX4 Q96LA9 4/20 0.36
▸ MAOA P21397 1/20 0.35
▸ GRM5 P41594 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
SCHEMBL17216410 1.00 NPC1 (0.40) NPC1RAB9ACYP3A4IDO1AGXT
SCHEMBL17218370 0.90 CYP2A6 (0.38) NPC1RAB9ACYP3A4IDO1AGXT
SCHEMBL17218372 0.90 CYP2A6 (0.38) NPC1RAB9ACYP3A4IDO1AGXT
SCHEMBL17217273 0.89 MAOB (0.46) CYP3A4IDO1AGXTMAPTMAOB
SCHEMBL17217271 0.89 MAOB (0.46) CYP3A4IDO1AGXTMAPTMAOB
SCHEMBL17217330 0.88 CYP3A4 (0.50) NPC1RAB9ACYP3A4IDO1AGXT
SCHEMBL17217332 0.88 CYP3A4 (0.50) NPC1RAB9ACYP3A4IDO1AGXT
SCHEMBL17218316 0.87 CYP3A4 (0.44) CYP3A4IDO1AGXTMAPTMAOB
SCHEMBL17218367 0.87 PPARG (0.37) NPC1RAB9ACYP3A4IDO1AGXT
SCHEMBL17218313 0.87 CYP3A4 (0.44) CYP3A4IDO1AGXTMAPTMAOB

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 NPC1 1841/4885RAB9A 399/4885CYP3A4 266/4885

“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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