SCHEMBL4381803

SCHEMBL4381803

NOCc1cccc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.42
AGXT P21549 5/20 0.42
CYP3A4 P08684 3/20 0.42
KCNH2 Q12809 1/20 0.39
MBOAT4 Q96T53 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL2134778 0.79 ALDH1A1 (0.41) CYP3A4KCNH2MBOAT4GRM2GRM3
SCHEMBL1556910 0.77 BACE1 (0.43) IDO1AGXTCYP3A4KCNH2
SCHEMBL29100661 0.76 ALDH1A1 (0.46) CYP3A4MBOAT4GRM2GRM3TSHR
SCHEMBL5313454 0.76 CYP3A4 (0.40) CYP3A4KCNH2MBOAT4GRM2GRM3
SCHEMBL5017655 0.76 IDO1 (0.34) IDO1AGXTCYP3A4KCNH2ALDH1A1
SCHEMBL904618 0.76
SCHEMBL31190859 0.76
SCHEMBL15856232 0.75 KCNH2 (0.44) IDO1AGXTCYP3A4KCNH2
SCHEMBL13141049 0.75 IDO1 (0.42) IDO1AGXTCYP3A4KCNH2MBOAT4
SCHEMBL22838148 0.75 IDO1 (0.41) IDO1AGXTCYP3A4KCNH2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 IDO1 305/4885AGXT 3147/4885CYP3A4 108/4885

“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.