SCHEMBL5367322

SCHEMBL5367322

COc1c(C(C)C)cc(Oc2c(Br)cc(C(=O)O)cc2Br)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.62
THRB P10828 9/20 0.62
TPMT P51580 2/20 0.50
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C1 Q04828 1/20 0.36

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
SCHEMBL5367327 1.00 THRA (0.62) THRATHRBTPMTCYP3A4CYP2C19
SCHEMBL12312830 0.91 THRA (0.50) THRATHRBTPMTCYP3A4CYP2C19
SCHEMBL5964570 0.87 THRA (0.46) THRATHRBTPMTCYP3A4CYP2C19
SCHEMBL16425260 0.87 THRA (0.77) THRATHRBTPMT
SCHEMBL5280253 0.86 THRB (0.56) THRATHRBTPMTCYP3A4CYP2C19
SCHEMBL5351679 0.84 THRA (0.43) THRATHRBCYP3A4CYP2C19
SCHEMBL5351673 0.84 THRA (0.43) THRATHRBCYP3A4CYP2C19
SCHEMBL5282266 0.83 THRA (0.47) THRATHRBCYP3A4CYP2C19
SCHEMBL5349027 0.81 THRA (0.68) THRATHRBTPMT
SCHEMBL5356134 0.81 THRA (0.68) THRATHRBTPMTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279593-B2 Prime ring substituted thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2007-10-09 US disclosed
US-20050107347-A1 Prime ring substituted thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2005-05-19 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-20050107347-A1 Prime ring substituted thyroid receptor antagonists for the treatment of cardiac and metabolic disorders TSHR, THRB, THRA THRA 3/4885THRB 2/4885TPMT 1652/4885

“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.