SCHEMBL8401985

SCHEMBL8401985

O=Nc1cc(OCc2ccccc2)cc2cccnc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.49
SLC40A1 Q9NP59 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
EGLN1 Q9GZT9 1/20 0.41
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
CYP1A2 P05177 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
SRD5A2 P31213 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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 0.79 CYP3A4 (0.55) CYP3A4ALOX5SLC40A1MEN1KMT2A
SCHEMBL5330815 0.79 CYP3A4 (0.55) CYP3A4ALOX5MEN1KMT2AEGLN1
SCHEMBL8401986 0.79 CYP1A2 (0.61) SLC40A1MEN1KMT2ACYP1A2KDM4E
SCHEMBL12047094 0.78 CYP1A2 (0.46) CYP3A4SLC40A1MEN1KMT2ACYP1A2
SCHEMBL5322748 0.76 HSP90AA1 (0.59) CYP3A4ALOX5MEN1KMT2AKDM4E
SCHEMBL8404767 0.75 PDE4A (0.48) SLC40A1MEN1KMT2ACYP1A2PDE4A
SCHEMBL8401989 0.73 HSP90AA1 (0.54) CYP3A4MEN1KMT2AKDM4EALDH1A1
SCHEMBL8401286 0.72 SLC40A1 (0.51) CYP3A4SLC40A1MEN1KMT2AALDH1A1
SCHEMBL12047072 0.71 SLC40A1 (0.46) CYP3A4SLC40A1MEN1KMT2AKDM4E
SCHEMBL8110769 0.71 KMT2A (0.49) CYP3A4SLC40A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3727/4885SLC40A1 4650/4885

“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.