SCHEMBL17217656

SCHEMBL17217656

COc1ccc(CO/N=[C]\c2cccc(C#N)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAOB P27338 3/20 0.43
▸ MAOA P21397 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PTGDR Q13258 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40
▸ TUBA3C P0DPH7 1/20 0.40
▸ TUBA1B P68363 1/20 0.40
▸ TUBA4A P68366 1/20 0.40

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
SCHEMBL17217659 1.00 VNN1 (0.43) VNN1DYRK1ACLK4MAOBMAOA
SCHEMBL17217577 0.89 IDO1 (0.47) VNN1MAOBALDH1A1MEN1MAPT
SCHEMBL17219255 0.89 RAB9A (0.44) MAOBMAOAMAPTSMN1; SMN2NPC1
SCHEMBL17217580 0.89 IDO1 (0.47) VNN1MAOBALDH1A1MEN1MAPT
SCHEMBL17219258 0.89 RAB9A (0.44) MAOBMAOAMAPTSMN1; SMN2NPC1
SCHEMBL17218724 0.88 NPC1 (0.49) MAOBMAPTTSHRKMT2ASMN1; SMN2
SCHEMBL17218720 0.88 NPC1 (0.49) MAOBMAPTTSHRKMT2ASMN1; SMN2
SCHEMBL17217586 0.88 MEN1 (0.46) VNN1DYRK1ACLK4MAOBMAOA
SCHEMBL17217589 0.88 MEN1 (0.46) VNN1DYRK1ACLK4MAOBMAOA
SCHEMBL17219308 0.87 CYP2A6 (0.46) MAOBALDH1A1MEN1MAPTTSHR

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 VNN1 3803/4885DYRK1A 3068/4885CLK4 1312/4885

“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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