SCHEMBL4135933

SCHEMBL4135933

O/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
NPC1 O15118 6/20 0.76
NFKB1 P19838 4/20 0.76
NFKB2 Q00653 4/20 0.76
RELA Q04206 4/20 0.76
ALDH1A1 P00352 5/20 0.72
POLB P06746 3/20 0.72
KDM4E B2RXH2 2/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
KMT2A Q03164 2/20 0.68
UBE2N P61088 1/20 0.68
GAA P10253 1/20 0.67
MEN1 O00255 1/20 0.63
TP53 P04637 1/20 0.62
PAX8 Q06710 1/20 0.62
KLF5 Q13887 1/20 0.62
HIF1A Q16665 1/20 0.62
PKM P14618 1/20 0.59
MAPT P10636 2/20 0.56

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
SCHEMBL4135937 1.00 RAB9A (0.76) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL25772042 0.92 RAB9A (0.66) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3576787 0.91 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3576783 0.91 SMN1; SMN2 (0.69) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL13191415 0.89 RAB9A (0.63) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3568939 0.88 RAB9A (0.68) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL3568942 0.88 RAB9A (0.68) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL4447842 0.84 POLB (0.64) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL5340068 0.84 POLB (0.68) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL5340070 0.84 POLB (0.68) RAB9ASMN1; SMN2NPC1NFKB1NFKB2

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 RAB9A 698/4885SMN1; SMN2 4297/4885NPC1 4141/4885

“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.