SCHEMBL4493419

SCHEMBL4493419

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SCD O00767 9/20 0.47
HPGD P15428 3/20 0.43
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
KMT2A Q03164 2/20 0.43
SCD5 Q86SK9 8/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SGMS2 Q8NHU3 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
SCHEMBL4507518 0.95 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL23241871 0.91 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4501251 0.90 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4505284 0.90 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1SCDSCD5
SCHEMBL4515673 0.89 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4507671 0.88 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1SCDKMT2ASCD5
Hydrochloric Acid SCHEMBL4508956 0.88 SCD5 (0.52) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
Hydrochloric Acid SCHEMBL4512405 0.86 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1SCDHPGDKMT2A
SCHEMBL4515703 0.85 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1SCDHPGDSLC12A2
SCHEMBL4509100 0.85 SCD5 (0.54) SMN1; SMN2ALDH1A1SCDHPGDKMT2A

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 2 patents. 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 claimed
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.