SCHEMBL17218906

SCHEMBL17218906

CCC[C]=NOCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
MAOB P27338 6/20 0.35
APP P05067 1/20 0.35
PSMD14 O00487 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
MC4R P32245 1/20 0.35
RAD52 P43351 1/20 0.35
MIF P14174 1/20 0.34
LMNA P02545 1/20 0.34
NAAA Q02083 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17218903 1.00 IDO1 (0.41) IDO1AGXTMAOBAPPPSMD14
SCHEMBL17219271 0.90 PSMD14 (0.40) IDO1AGXTMAOBAPPPSMD14
SCHEMBL17219272 0.90 PSMD14 (0.40) IDO1AGXTMAOBAPPPSMD14
SCHEMBL17216169 0.86 IDO1 (0.44) IDO1AGXTMAOBAPPMIF
SCHEMBL17216166 0.86 IDO1 (0.44) IDO1AGXTMAOBAPPMIF
SCHEMBL17217489 0.86 CYP2A6 (0.35) MEN1KMT2APOLBL3MBTL1
SCHEMBL17217487 0.86 CYP2A6 (0.35) MEN1KMT2APOLBL3MBTL1
SCHEMBL17218946 0.84 AGXT (0.42) IDO1AGXTMAOBNAAAPOLB
SCHEMBL17218949 0.84 AGXT (0.42) IDO1AGXTMAOBNAAAPOLB
SCHEMBL17219363 0.83 IDO1 (0.47) IDO1AGXTMAOBAPPMIF

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 335/4885MAOB 2207/4885
US-20150336908-A1 TETRAZOLINONE COMPOUND AND USE THEREOF RTN3, CYP51A1, TCOF1 IDO1 2882/4885AGXT 1423/4885MAOB 3611/4885

“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.