SCHEMBL4496434

SCHEMBL4496434

O=C(Nc1ccc(Cn2cccn2)cc1)N1CCCC(COc2ccccc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 2/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
STAT1 P42224 1/20 0.41
CCR2 P41597 1/20 0.41
KCNH2 Q12809 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
SCHEMBL4506389 0.91 MEN1 (0.45) LOXL2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL4510401 0.84 HPGD (0.45) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL4505528 0.83 ALDH1A1 (0.52) LOXL2SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL4508306 0.80 ALOX5 (0.46) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL4504665 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTLMNAALDH1A1HTT
SCHEMBL4504899 0.77 EPHA2 (0.45) SMN1; SMN2HPGDMEN1KMT2AMAPT
SCHEMBL4518279 0.76 ALDH1A1 (0.51) SMN1; SMN2MAPTLMNAALDH1A1POLB
SCHEMBL4499618 0.74 LOXL2 (0.42) LOXL2SMN1; SMN2MEN1KMT2A
SCHEMBL4518274 0.73 KMT2A (0.52) LOXL2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4503513 0.70 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMEN1KMT2AMAPT

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 LOXL2 2411/4885SMN1; 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.