SCHEMBL17219532

SCHEMBL17219532

Clc1ccc(CON=[C]c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.41
▸ AGXT P21549 2/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ APP P05067 1/20 0.39
▸ NR4A2 P43354 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ CYP1A2 P05177 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
SCHEMBL17219531 1.00 IDO1 (0.41) IDO1AGXTL3MBTL1CHRNB2CHRNA4
SCHEMBL17216577 0.93 NPC1 (0.40) IDO1AGXTL3MBTL1CHRNB2CHRNA4
SCHEMBL17216574 0.93 NPC1 (0.40) IDO1AGXTL3MBTL1CHRNB2CHRNA4
SCHEMBL17219095 0.91 IDO1 (0.45) IDO1AGXTL3MBTL1MEN1MAPT
SCHEMBL17219096 0.91 IDO1 (0.45) IDO1AGXTL3MBTL1MEN1MAPT
SCHEMBL17216786 0.91 CYP1A2 (0.46) IDO1AGXTL3MBTL1CHRNB2CHRNA4
SCHEMBL17216789 0.91 CYP1A2 (0.46) IDO1AGXTL3MBTL1CHRNB2CHRNA4
SCHEMBL4196342 0.87 TSHR (0.44) IDO1AGXTL3MBTL1MAPTBCHE
SCHEMBL17219268 0.87 TSHR (0.44) IDO1AGXTL3MBTL1MAPTBCHE
SCHEMBL4196340 0.87 TSHR (0.44) IDO1AGXTL3MBTL1MAPTBCHE

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 IDO1 1822/4885AGXT 335/4885L3MBTL1 507/4885
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 IDO1 2882/4885AGXT 1423/4885L3MBTL1 6/4885

“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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