SCHEMBL3576783

SCHEMBL3576783

COc1ccc(/C=N/O)cc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.69
RAB9A P51151 6/20 0.69
NPC1 O15118 5/20 0.69
NFKB1 P19838 4/20 0.69
NFKB2 Q00653 4/20 0.69
RELA Q04206 4/20 0.69
ALDH1A1 P00352 5/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
POLB P06746 3/20 0.67
TP53 P04637 1/20 0.67
PAX8 Q06710 1/20 0.67
KLF5 Q13887 1/20 0.67
HIF1A Q16665 1/20 0.67
AMY1A P0DUB6 1/20 0.66
KDM4E B2RXH2 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
UBE2N P61088 1/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 3/20 0.61

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
SCHEMBL3576787 1.00 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL4135937 0.91 RAB9A (0.76) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL4135933 0.91 RAB9A (0.76) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL13191415 0.84 RAB9A (0.63) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL9587050 0.84 CYP1A1 (0.65) ALDH1A1AMY1AKDM4ELMNAHPGD
SCHEMBL9587052 0.84 CYP1A1 (0.65) ALDH1A1AMY1AKDM4ELMNAHPGD
SCHEMBL25772042 0.84 RAB9A (0.66) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7359689 0.83 PDE4A (0.55) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL7359690 0.83 PDE4A (0.55) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL3568939 0.83 RAB9A (0.68) SMN1; SMN2RAB9ANPC1NFKB1NFKB2

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-20100029728-A1 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-02-04 US disclosed
EP-2066661-A2 PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-06-10 EP disclosed
WO-2008035316-A2 PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-03-27 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-20100029728-A1 PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C SMN1; SMN2 3397/4885RAB9A 281/4885NPC1 3927/4885

“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.