SCHEMBL3136227

SCHEMBL3136227

CC(C)Cc1nc2ccc(Cc3c(Br)cc(NC(=O)CC(=O)O)cc3Br)cc2n1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.38
HDAC8 Q9BY41 3/20 0.38
THRA P10827 3/20 0.37
THRB P10828 3/20 0.37
NTRK1 P04629 5/20 0.36
NTRK2 Q16620 4/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PARG Q86W56 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL3130687 0.77 HDAC1 (0.37) HDAC1HDAC8THRATHRBNTRK1
SCHEMBL3142272 0.73 THRA (0.36) THRATHRBMEN1LMNAKMT2A
SCHEMBL3137471 0.72 THRB (0.53) THRATHRBMEN1KMT2AHDAC6
SCHEMBL3141802 0.71 MAPT (0.38) THRATHRBMEN1LMNAKMT2A
SCHEMBL4529355 0.70 MEN1 (0.36) HDAC1HDAC8THRATHRBMEN1
SCHEMBL4529353 0.70 MEN1 (0.34) HDAC1HDAC8THRATHRBMEN1
SCHEMBL11876883 0.68 MEN1 (0.43) MEN1LMNAKMT2APARG
SCHEMBL3129784 0.61 THRB (0.46) THRATHRBMEN1KMT2A
SCHEMBL3979678 0.60 THRA (0.56) THRATHRBMEN1LMNAKMT2A
SCHEMBL11874680 0.60 ALDH1A1 (0.41) HDAC1HDAC8THRBMEN1LMNA

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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2010-01-07 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-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR HDAC1 264/4885HDAC8 683/4885THRA 4/4885

“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.