SCHEMBL3141999

SCHEMBL3141999

CNC(=O)c1ccc2cc(Oc3c(Br)cc([N+](=O)[O-])cc3Br)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 15/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTPN1 P18031 1/20 0.42
BRAF P15056 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL3128252 0.85 SCN9A (0.53) SCN9APTPN1BRAF
SCHEMBL3131766 0.81 HDAC1 (0.44) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL3133764 0.78 THRA (0.54) SCN9APTPN1BRAF
SCHEMBL3130767 0.76 MEN1 (0.37) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3136233 0.76 HDAC1 (0.42) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3133756 0.74 HDAC1 (0.40) SCN9AHDAC1HDAC8HDAC6PTPN1
SCHEMBL3141283 0.74 HTT (0.44) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL6954319 0.71 PTPN1 (0.53) SCN9AHDAC1HDAC8PTPN1BRAF
SCHEMBL25284297 0.68 L3MBTL1 (0.44) ALDH1A1
SCHEMBL23042415 0.67 HTT (0.43) HDAC1HDAC8HDAC6KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 US disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 WO 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR SCN9A 3770/4885HDAC1 264/4885HDAC8 683/4885

“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.