SCHEMBL4515673

SCHEMBL4515673

O=C(Nc1cnn(CCCn2cccc2)c1)c1cc(COc2ccccc2Cl)ccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SCD O00767 8/20 0.44
HPGD P15428 3/20 0.41
SLC12A2 P55011 1/20 0.41
SLC12A5 Q9H2X9 1/20 0.41
KMT2A Q03164 4/20 0.40
SCD5 Q86SK9 7/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4515634 0.92 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1SCDKMT2ASCD5
SCHEMBL4505607 0.91 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HPGDKMT2ASCD5
SCHEMBL4507518 0.90 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4493419 0.89 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4501251 0.89 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL23241871 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4505284 0.86 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1SCDSCD5
Hydrochloric Acid SCHEMBL4508956 0.86 SCD5 (0.52) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4506303 0.85 GRM5 (0.44) SMN1; SMN2ALDH1A1KMT2ASCD5MAPT
SCHEMBL4507671 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1SCDKMT2ASCD5

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 2075/4885ALDH1A1 1311/4885SCD 1/4885

“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.