SCHEMBL4499629

SCHEMBL4499629

O=C(Nc1ccccn1)c1ccc(COc2cccn3ccnc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 1/20 0.56
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
SCD O00767 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
F10 P00742 1/20 0.46
NAMPT P43490 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL4509136 0.88 KMT2A (0.49) SGMS2NPC1RAB9ASCDMEN1
SCHEMBL183867 0.76 ATP4A (0.51) MEN1KMT2AMAPT
SCHEMBL2482758 0.72 GRM5 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4511146 0.72 SGMS2 (0.53) SGMS2NPC1RAB9ASCDMEN1
SCHEMBL30322922 0.72 SGMS2 (1.00) SGMS2NPC1RAB9AMEN1KMT2A
SCHEMBL17551827 0.72 SGMS2 (1.00) SGMS2NPC1RAB9AMEN1KMT2A
SCHEMBL4507767 0.71 RAB9A (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL9186095 0.71 SYK (0.49) MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL10162070 0.71 NPC1 (0.76) NPC1RAB9AMEN1KMT2AF2
SCHEMBL30038962 0.71 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 SGMS2 173/4885NPC1 57/4885RAB9A 3368/4885

“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.