SCHEMBL4500083

SCHEMBL4500083

CCOC(=O)c1c(C)ncn1Cc1ccc(C(=O)Nc2ccccn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.52
RAB9A P51151 7/20 0.52
HTT P42858 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.49
F2 P00734 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
RECQL P46063 1/20 0.48
MAPK10 P53779 1/20 0.48
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TP53 P04637 2/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45

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
SCHEMBL4505446 0.87 NPC1 (0.51) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL11213556 0.81 SMN1; SMN2 (0.55) ALDH1A1SMN1; SMN2RECQLMAPK10GAA
SCHEMBL10162070 0.77 NPC1 (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL4511949 0.76 HDAC1 (0.70) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL4490644 0.75 MEN1 (0.67) NPC1RAB9AMEN1KMT2AF2
SCHEMBL6800674 0.75 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2RECQL
SCHEMBL13514038 0.72 NPC1 (0.71) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10570732 0.72 ALDH1A1 (0.52) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4506741 0.72 HDAC1 (0.66) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL4507767 0.72 RAB9A (0.76) NPC1RAB9AMEN1KMT2AF2

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-20090325956-A1 Aromatic amine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 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-20090325956-A1 Aromatic amine derivative and use thereof SCD, SCD5, SMS NPC1 57/4885RAB9A 3368/4885HTT 2440/4885

“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.