SCHEMBL5330815

SCHEMBL5330815

Nc1cc(OCc2ccccc2)cc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
ALOX5 P09917 1/20 0.53
LTA4H P09960 1/20 0.49
MAPK14 Q16539 1/20 0.49
MAOB P27338 2/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 3/20 0.43
ROCK1 Q13464 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DHFR P00374 1/20 0.41

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
SCHEMBL25911521 0.82 CYP3A4 (0.55) CYP3A4ALOX5LTA4HMAPK14RAB9A
SCHEMBL8439027 0.80 SLC40A1 (0.52) CYP3A4MAOBRAB9AGAAMAPT
SCHEMBL8401985 0.79 CYP3A4 (0.51) CYP3A4ALOX5LTA4HMAPK14RAB9A
SCHEMBL18249555 0.79 HSP90AA1 (0.44) CYP3A4LTA4HMAOBRAB9AMAPT
SCHEMBL4083623 0.78 ALOX5 (0.59) CYP3A4ALOX5MAOBRAB9AL3MBTL1
SCHEMBL18249539 0.78 KDM4E (0.42) CYP3A4MAOBRAB9AMAPTMAOA
SCHEMBL5322748 0.77 HSP90AA1 (0.59) CYP3A4ALOX5MAOBRAB9AL3MBTL1
SCHEMBL5865023 0.77 LTA4H (0.56) CYP3A4ALOX5LTA4HMAPK14MAOB
SCHEMBL2473645 0.77 KDM4E (0.45) CYP3A4MAOBRAB9AGAAMAPT
SCHEMBL454942 0.76 CYP1A2 (0.55) CYP3A4MAOBRAB9AL3MBTL1GAA

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
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
WO-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 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-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 CYP3A4 3451/4885ALOX5 3727/4885LTA4H 2111/4885

“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.