SCHEMBL4511949

SCHEMBL4511949

O=C(Nc1ccccn1)c1ccc(Cn2cnc3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.70
HDAC6 Q9UBN7 1/20 0.70
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
IDO1 P14902 5/20 0.58
CYP11B1 P15538 4/20 0.56
CYP11B2 P19099 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
MAPK1 P28482 1/20 0.56
TNF P01375 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
FLT3 P36888 1/20 0.52
TP53 P04637 1/20 0.49
PABPC1 P11940 1/20 0.49
F2 P00734 1/20 0.49

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
SCHEMBL4507749 0.88 HDAC1 (0.66) HDAC1HDAC6NPC1RAB9AIDO1
SCHEMBL4490644 0.87 MEN1 (0.67) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL12850040 0.83 HDAC6 (1.00) HDAC1HDAC6IDO1CYP11B1CYP11B2
SCHEMBL4506350 0.81 HDAC1 (0.64) HDAC1HDAC6NPC1RAB9AIDO1
SCHEMBL4508882 0.81 HDAC1 (0.62) HDAC1HDAC6IDO1CYP11B1CYP11B2
SCHEMBL3539977 0.81 HDAC1 (0.75) HDAC1HDAC6IDO1
SCHEMBL9304316 0.79 HDAC1 (0.66) HDAC1HDAC6NPC1RAB9AIDO1
SCHEMBL1750364 0.79 HDAC1 (0.73) HDAC1HDAC6IDO1CYP11B1CYP11B2
SCHEMBL9302460 0.77 HDAC1 (0.71) HDAC1HDAC6NPC1IDO1CYP11B1
SCHEMBL4507767 0.77 RAB9A (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 HDAC1 940/4885HDAC6 3583/4885NPC1 57/4885

“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.