SCHEMBL17216577

SCHEMBL17216577

Clc1ccc([C]=NOCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ BCHE P06276 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ AR P10275 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ AGXT P21549 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17216574 1.00 NPC1 (0.40) NPC1RAB9ABCHESMN1; SMN2GAA
SCHEMBL17219531 0.93 IDO1 (0.41) NPC1RAB9ABCHESMN1; SMN2GAA
SCHEMBL17219532 0.93 IDO1 (0.41) NPC1RAB9ABCHESMN1; SMN2GAA
SCHEMBL17219096 0.91 IDO1 (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17219095 0.91 IDO1 (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17216786 0.91 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17216789 0.91 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL17219268 0.87 TSHR (0.44) NPC1RAB9ABCHESMN1; SMN2GAA
SCHEMBL4196342 0.87 TSHR (0.44) NPC1RAB9ABCHESMN1; SMN2GAA
SCHEMBL4196340 0.87 TSHR (0.44) NPC1RAB9ABCHESMN1; SMN2GAA

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 399/4885BCHE 1786/4885

“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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