SCHEMBL4508322

SCHEMBL4508322

O=C(Nc1cnn(CCc2ccccc2)c1)c1cccc(COc2ccccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
HPGD P15428 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 4/20 0.56
TP53 P04637 2/20 0.54
MITF O75030 1/20 0.54
XBP1 P17861 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
KDM4E B2RXH2 2/20 0.54
MRGPRX4 Q96LA9 3/20 0.52
TDP1 Q9NUW8 1/20 0.51
NAMPT P43490 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL4509308 0.87 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4506545 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4517012 0.85 KDM1A (0.57) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4493964 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4285528 0.81 NAMPT (0.65) SMN1; SMN2RAB9AMAPTALDH1A1NAMPT
SCHEMBL4501921 0.79 MAPK10 (0.53) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4505284 0.79 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1SCD
SCHEMBL4499533 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4493419 0.79 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHPGDMEN1
SCHEMBL4507518 0.78 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AHPGDMEN1

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 SMN1; SMN2 2075/4885NPC1 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.