SCHEMBL4496456

SCHEMBL4496456

O=C(Nc1ccn(Cc2ccccc2F)n1)c1cccc(COc2cc(Cl)ccc2Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.72
NPSR1 Q6W5P4 6/20 0.72
HPGD P15428 4/20 0.72
HTT P42858 2/20 0.72
CYP1A2 P05177 2/20 0.72
CYP3A4 P08684 2/20 0.72
CYP2C9 P11712 2/20 0.72
CYP2C19 P33261 2/20 0.72
LMNA P02545 6/20 0.71
ALDH1A1 P00352 5/20 0.71
MAPT P10636 3/20 0.71
STAT3 P40763 2/20 0.71
PTGER1 P34995 3/20 0.67
GAA P10253 1/20 0.64
NPC1 O15118 6/20 0.59
RAB9A P51151 6/20 0.59
TDP1 Q9NUW8 1/20 0.58
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL757524 0.82 PTGER1 (0.67) SMN1; SMN2NPSR1HPGDHTTCYP1A2
SCHEMBL759700 0.80 PTGER1 (0.78) SMN1; SMN2NPSR1HPGDHTTCYP1A2
SCHEMBL757179 0.80 PTGER1 (0.75) SMN1; SMN2NPSR1HPGDHTTCYP1A2
SCHEMBL18762166 0.76 PTGER1 (0.78) SMN1; SMN2NPSR1HPGDHTTCYP1A2
SCHEMBL704436 0.76 SMN1; SMN2 (0.65) SMN1; SMN2NPSR1HPGDHTTCYP1A2
SCHEMBL7875050 0.76 PTGER1 (0.62) SMN1; SMN2NPSR1HPGDHTTCYP1A2
SCHEMBL4505850 0.75 SMN1; SMN2 (0.67) SMN1; SMN2NPSR1HPGDHTTALDH1A1
SCHEMBL758338 0.75 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1HPGDHTTCYP1A2
Trifluoroacetic Acid SCHEMBL4516452 0.74 SMN1; SMN2 (0.63) SMN1; SMN2NPSR1HPGDHTTALDH1A1
SCHEMBL4509901 0.74 SMN1; SMN2 (0.66) SMN1; SMN2NPSR1HPGDCYP1A2CYP3A4

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 2075/4885NPSR1 3559/4885HPGD 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.