SCHEMBL3829697

SCHEMBL3829697

Cc1noc(-c2ccnc(Cl)c2)c1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 2/20 0.36
FFAR4 Q5NUL3 1/20 0.35
IDO1 P14902 1/20 0.34
LMNA P02545 1/20 0.34
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
MAPK14 Q16539 2/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
LOX P28300 1/20 0.33
LOXL3 P58215 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
SMARCA2 P51531 1/20 0.32
SMARCA4 P51532 1/20 0.32
ALOX5 P09917 1/20 0.32
ALOX5AP P20292 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3822024 0.87 S1PR1 (0.39) RECQLS1PR1S1PR3FFAR4IDO1
SCHEMBL3821410 0.86 LOX (0.42) RECQLS1PR1S1PR3FFAR4IDO1
SCHEMBL3823273 0.76 CCNC (0.38) S1PR1S1PR3LMNACCNCCDK8
SCHEMBL31526326 0.76 NPC1 (0.38) S1PR1S1PR3MEN1KMT2A
SCHEMBL3829385 0.75 POLB (0.51) S1PR1LMNACCNCCDK8SMARCA2
SCHEMBL4029412 0.74 MAPT (0.50) S1PR1CCNCCDK8SMARCA2SMARCA4
SCHEMBL3825841 0.74 ALDH1A1 (0.56) LMNAALOX5
SCHEMBL3075233 0.73 ALDH1A1 (0.48) MEN1KMT2A
SCHEMBL6167906 0.72 NPC1 (0.39) ALOX5MEN1KMT2A
SCHEMBL14789795 0.72 ALDH1A1 (0.39) FFAR4ALOX5ALOX5APMEN1KMT2A

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-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US 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-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 RECQL 2300/4885S1PR1 2594/4885S1PR3 1778/4885

“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.