SCHEMBL17218720

SCHEMBL17218720

N#Cc1ccc(CO/N=[C]\c2cccc(C#N)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAOB P27338 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ FFAR1 O14842 2/20 0.40
▸ SMPD1 P17405 1/20 0.40
▸ CYP2A6 P11509 1/20 0.38
▸ ENPP2 Q13822 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ TSHR P16473 1/20 0.35

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
SCHEMBL17218724 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217419 0.91 MAOB (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217417 0.91 MAOB (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217339 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218931 0.90 LRRK2 (0.40) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217581 0.90 MRGPRX4 (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218932 0.90 LRRK2 (0.40) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17219308 0.90 CYP2A6 (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17217340 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17219310 0.90 CYP2A6 (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1

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 399/4885SMN1; SMN2 4013/4885

“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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