SCHEMBL4554004

SCHEMBL4554004

COC(=O)CC(=O)Nc1cc(Br)c(Oc2ccc(N)c([N+](=O)[O-])c2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MITF O75030 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL27874611 0.84 ALDH1A1 (0.42) THRATHRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3910714 0.82 KMT2A (0.46) THRATHRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3909957 0.82 KMT2A (0.46) THRATHRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL3908103 0.81 THRA (0.51) THRATHRBALDH1A1HTTHPGD
SCHEMBL4298109 0.80 GAA (0.43) MAPTSMN1; SMN2ALDH1A1HTTGAA
SCHEMBL3141369 0.80 THRA (0.47) THRATHRBHTT
SCHEMBL7114898 0.77 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1HTTGAA
SCHEMBL3141253 0.76 ALDH1A1 (0.40) THRATHRBMAPTSMN1; SMN2ALDH1A1
SCHEMBL5858364 0.76 THRB (0.52) THRATHRBLMNA
SCHEMBL3913459 0.74 THRA (0.54) THRATHRBLMNAPOLB

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 THRA 3/4885THRB 5/4885MAPT 3554/4885

“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.