SCHEMBL4506741

SCHEMBL4506741

O=C(Nc1ccccn1)c1ccc(Cn2cccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.66
HDAC6 Q9UBN7 2/20 0.66
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 1/20 0.58
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
F2 P00734 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL4507767 0.80 RAB9A (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL12472822 0.80 HDAC1 (1.00) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL10162070 0.80 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3555925 0.79 HDAC1 (0.64) HDAC1HDAC6SMN1; SMN2MEN1KMT2A
SCHEMBL15705714 0.79 HDAC1 (0.76) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL13514038 0.78 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2856188 0.78 RAB9A (0.62) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL1073664 0.78 SMN1; SMN2 (0.55) HDAC1HDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL30038962 0.77 RAB9A (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18398690 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.