SCHEMBL6452391

SCHEMBL6452391

O=C(NNC(=O)c1c(O)ccc2ccccc12)c1ccco1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 4/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 4/20 0.48
HTT P42858 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 1/20 0.48
ABCC9 O60706 1/20 0.48
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
KCNJ8 Q15842 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL11834280 0.89 ABCC9 (0.51) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL6526653 0.75 HTT (0.54) KDM4ESMN1; SMN2GAALMNAMEN1
SCHEMBL8358481 0.75 ALOX15 (0.54) KDM4EGAAMEN1KMT2AALOX15
SCHEMBL25054010 0.74 KMT2A (0.79) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL7189830 0.74 ABCG2 (0.55) KDM4ESMN1; SMN2GAAMEN1KMT2A
SCHEMBL27590288 0.74 PTGS2 (0.50) KDM4ESMN1; SMN2GAALMNAMEN1
SCHEMBL6470479 0.73 MEN1 (0.52) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL6452281 0.73 KDM4E (1.00) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL12218180 0.73 KMT2A (0.68) KDM4ESMN1; SMN2NPC1RAB9AGAA
SCHEMBL1639535 0.72 ALOX15 (0.55) KDM4EGAAMEN1KMT2AMAPT

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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 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-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC KDM4E 3106/4885SMN1; SMN2 4633/4885NPC1 59/4885

“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.