SCHEMBL4449560

SCHEMBL4449560

COC(=O)CNC(=O)c1cc(Br)c(Oc2ccc(N)c([N+](=O)[O-])c2)c(Br)c1.NC(=O)C(C(=O)O)c1cc(Br)c(Oc2ccc(N)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ADRB2 P07550 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL4298109 0.90 GAA (0.43) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3256884 0.85 KDM4E (0.37) GAASMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL3260468 0.85 KDM4E (0.41) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3130752 0.78 GAA (0.53) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL5859445 0.76 LMNA (0.42) GAAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL27874611 0.75 ALDH1A1 (0.42) GAAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3137803 0.73 KDM4E (0.51) GAAMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3910714 0.73 KMT2A (0.46) GAAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3909957 0.73 KMT2A (0.46) GAAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3909800 0.73 ALDH1A1 (0.39) GAAMAPTSMN1; SMN2KDM4EALDH1A1

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-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA GAA 3977/4885MAPT 3554/4885SMN1; SMN2 4396/4885

“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.