SCHEMBL4496983

SCHEMBL4496983

O=C(Nc1cn[nH]c1)c1cc(COc2ccccc2Cl)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.52
SMN1; SMN2 Q16637 5/20 0.47
HPGD P15428 5/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SGMS2 Q8NHU3 3/20 0.45
HDAC6 Q9UBN7 2/20 0.45
MITF O75030 1/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 2/20 0.44

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
Hydrochloric Acid SCHEMBL4498398 0.88 SMN1; SMN2 (0.48) SMN1; SMN2HPGDMEN1KMT2ANPC1
SCHEMBL4506339 0.85 SMN1; SMN2 (0.61) SCDSMN1; SMN2HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL4518322 0.85 MRGPRX4 (0.46) SGMS2MRGPRX4GRM4PIM1PIM3
SCHEMBL4505284 0.79 ALDH1A1 (0.66) SCDSMN1; SMN2ALDH1A1
SCHEMBL4493419 0.78 SMN1; SMN2 (0.52) SCDSMN1; SMN2HPGDSLC12A2SLC12A5
SCHEMBL4510719 0.78 MRGPRX4 (0.66) SCDSMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4507518 0.77 SMN1; SMN2 (0.51) SCDSMN1; SMN2HPGDSLC12A2SLC12A5
SCHEMBL4507671 0.77 SMN1; SMN2 (0.58) SCDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4503513 0.77 SMN1; SMN2 (0.62) SCDSMN1; SMN2HPGDSLC12A2SLC12A5
SCHEMBL23241871 0.77 SMN1; SMN2 (0.50) SCDSMN1; SMN2HPGDSLC12A2SLC12A5

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 SCD 1/4885SMN1; SMN2 2075/4885HPGD 1447/4885

“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.