SCHEMBL3133756

SCHEMBL3133756

CS(=O)(=O)NCc1ccc2cc(Oc3c(Br)cc([N+](=O)[O-])cc3Br)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC2 Q92769 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
SCN9A Q15858 2/20 0.34
POLB P06746 1/20 0.34
NQO2 P16083 1/20 0.33
PTPN1 P18031 1/20 0.32
PTGS2 P35354 2/20 0.32
CYP19A1 P11511 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MLNR O43193 1/20 0.31
MMP1 P03956 1/20 0.31
MPO P05164 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL3133322 0.86 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC2SCN9A
SCHEMBL3136941 0.83 HDAC1 (0.43) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3136233 0.82 HDAC1 (0.42) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3141417 0.79 THRA (0.51) HDAC1HDAC2SCN9A
SCHEMBL3131766 0.78 HDAC1 (0.44) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL3141999 0.74 SCN9A (0.49) HDAC1HDAC8HDAC6SCN9APTPN1
SCHEMBL3141283 0.72 HTT (0.44) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL6271582 0.66 HTR3E (0.45) KMT2AKDM4ECYP1A2CYP3A4MAPT
SCHEMBL25284297 0.66 L3MBTL1 (0.44) MEN1KMT2ALMNAPOLBNQO2
SCHEMBL5137461 0.65 THRA (0.51) HDAC1HDAC8HDAC6HDAC2SCN9A

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 HDAC1 264/4885HDAC8 683/4885HDAC6 689/4885

“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.