SCHEMBL3130767

SCHEMBL3130767

CNC(=O)c1c2cc(Oc3c(Br)cc([N+](=O)[O-])cc3Br)ccc2nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.37
KMT2A Q03164 11/20 0.37
LMNA P02545 6/20 0.36
POLB P06746 2/20 0.36
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MITF O75030 3/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
NTSR1 P30989 1/20 0.35
MAPT P10636 5/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL3131401 0.86 BRAF (0.35) HDAC1HDAC8HDAC6THRBRAB9A
SCHEMBL3141256 0.80 THRB (0.52) THRB
SCHEMBL3137468 0.77 MTNR1A (0.48) MEN1KMT2ALMNAPOLBNPSR1
SCHEMBL3141999 0.76 SCN9A (0.49) ALDH1A1HDAC1HDAC8HDAC6
SCHEMBL25284297 0.70 L3MBTL1 (0.44) MEN1KMT2ALMNAPOLBHTT
SCHEMBL3131766 0.67 HDAC1 (0.44) MEN1KMT2ALMNAPOLBHTT
SCHEMBL3597145 0.66 PLA2G2A (0.48) MEN1KMT2ALMNAPOLBHTT
SCHEMBL3141283 0.65 HTT (0.44) MEN1KMT2ALMNAPOLBHTT
SCHEMBL3146020 0.65 MAPT (0.54) MEN1KMT2ALMNANPSR1MAPT
SCHEMBL14487048 0.65 BRD4 (0.43) MEN1KMT2ALMNAMAPTSMN1; SMN2

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 MEN1 496/4885KMT2A 1184/4885LMNA 3371/4885

“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.