SCHEMBL4134716

SCHEMBL4134716

CCCOc1cc(C2=NOC3(CCOC3)C2)ccc1OCN1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SSTR5 P35346 2/20 0.34
GRM2 Q14416 1/20 0.34
ADORA2A P29274 2/20 0.34
KMO O15229 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
HTR2A P28223 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
SCHEMBL3673182 0.94 ADORA2A (0.40) KDM4EHIF1ATSHRKMT2ARAB9A
SCHEMBL3677015 0.89 ALDH1A1 (0.42) TSHRKMT2ARAB9AMEN1HPGD
SCHEMBL3677244 0.88 KMO (0.42) KDM4ETSHRRAB9ANPC1ADORA2A
SCHEMBL3676934 0.87 SSTR5 (0.39) KDM4EKMT2ARAB9AMEN1NPC1
SCHEMBL3674351 0.87 SSTR5 (0.39) KDM4EKMT2ARAB9AMEN1NPC1
SCHEMBL3679579 0.87 SSTR5 (0.34) KDM4ETSHRKMT2ARAB9AMEN1
SCHEMBL3669370 0.87 SSTR5 (0.34) KDM4ETSHRKMT2ARAB9AMEN1
SCHEMBL3673180 0.85 HIF1A (0.34) KDM4EHIF1ATSHRKMT2ARAB9A
SCHEMBL3555911 0.85 FPR2 (0.41)
SCHEMBL3552078 0.85 PDE4B (0.38) HPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV RANBAXY LABORATORIES LIMITED (IN) 2009-02-19 US disclosed
EP-1869054-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2006085212-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2006-08-17 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-20090048247-A1 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE - IV PDE3B, PDE4A, PDE3A KDM4E 2552/4885HIF1A 2159/4885TSHR 4565/4885

“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.