SCHEMBL17218403

SCHEMBL17218403

N#Cc1ccc(CON=[C]c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ MAOB P27338 5/20 0.53
▸ TSHR P16473 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ LOXL2 Q9Y4K0 2/20 0.42
▸ KMT2A Q03164 1/20 0.40
▸ MAOA P21397 4/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ AR P10275 1/20 0.38
▸ CYP19A1 P11511 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
SCHEMBL17218400 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17219259 0.95 MAOB (0.59) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17219256 0.95 MAOB (0.59) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218438 0.93 NPC1 (0.53) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218441 0.93 NPC1 (0.53) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218188 0.92 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218190 0.92 NPC1 (0.55) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218724 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17218720 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL4196342 0.86 TSHR (0.44) 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 6 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-9635857-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-05-02 — — US disclosed
US-9560850-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 — — US disclosed
US-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-18 — — 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 (2 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-20160235065-A1 TETRAZOLINONE COMPOUND AND USE THEREOF MRPS17, TAOK1, TAOK3 NPC1 4172/4885RAB9A 1095/4885SMN1; SMN2 4176/4885
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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