SCHEMBL4516601

SCHEMBL4516601

O=C(Nc1ccc(Cn2cccn2)cc1)c1cc(COc2cccc(F)c2)ccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KDM4E B2RXH2 1/20 0.63
GAA P10253 1/20 0.63
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
F10 P00742 2/20 0.42
SCD O00767 2/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL4505158 0.90 MAPT (0.64) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4496601 0.88 MAPT (0.60) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4518670 0.85 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4509290 0.85 MAPT (0.56) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4508426 0.84 ALDH1A1 (0.56) MAPTSMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL4517237 0.84 MAPT (0.61) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4503513 0.81 SMN1; SMN2 (0.62) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4509030 0.80 SMN1; SMN2 (0.47) SMN1; SMN2SCDSCD5ALDH1A1
SCHEMBL4505147 0.80 SMN1; SMN2 (0.55) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL4496073 0.78 ALDH1A1 (0.54) MAPTSMN1; SMN2RAB9AKDM4EKMT2A

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 MAPT 4022/4885SMN1; SMN2 2075/4885NPC1 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.