SCHEMBL4490644

SCHEMBL4490644

O=C(Nc1ccccn1)c1ccc(Cn2cnc3cccnc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TP53 P04637 2/20 0.67
PABPC1 P11940 1/20 0.67
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
HDAC1 Q13547 6/20 0.53
HDAC6 Q9UBN7 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
F2 P00734 1/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
CHRNB2 P17787 1/20 0.46

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
SCHEMBL4511949 0.87 HDAC1 (0.70) MEN1KMT2ATP53PABPC1NPC1
SCHEMBL4507767 0.76 RAB9A (0.76) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL13508712 0.76 TP53 (0.68) MEN1KMT2ATP53PABPC1SMN1; SMN2
SCHEMBL4507749 0.76 HDAC1 (0.66) KMT2ATP53NPC1RAB9AHDAC1
SCHEMBL4500083 0.75 NPC1 (0.52) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL4505446 0.75 NPC1 (0.51) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL10468260 0.74 TP53 (0.70) MEN1KMT2ATP53PABPC1NPC1
SCHEMBL4506741 0.74 HDAC1 (0.66) MEN1KMT2ATP53NPC1RAB9A
SCHEMBL2856188 0.74 RAB9A (0.62) MEN1KMT2ANPC1RAB9AHDAC1
SCHEMBL10162070 0.73 NPC1 (0.76) MEN1KMT2ATP53NPC1RAB9A

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 MEN1 4180/4885KMT2A 1109/4885TP53 4274/4885

“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.