SCHEMBL3130752

SCHEMBL3130752

COC(=O)CNC(=O)c1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
KDM4E B2RXH2 1/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
MMP13 P45452 1/20 0.45
PKM P14618 1/20 0.43
FFAR1 O14842 1/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL3914958 0.86 GAA (0.53) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL4298109 0.86 GAA (0.43) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL3137803 0.83 KDM4E (0.51) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL14392404 0.83 MAPT (0.46) GAAMAPTALDH1A1RAB9AMMP13
SCHEMBL3914980 0.82 POLB (0.52) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL8947150 0.80 GAA (0.67) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL3136070 0.79 THRA (0.45) MAPTALDH1A1RAB9APTGS2LMNA
SCHEMBL3135882 0.78 KMT2A (0.44) GAAMAPTALDH1A1RAB9APTGS2
SCHEMBL4449560 0.78 GAA (0.35) GAAKDM4EMAPTALDH1A1RAB9A
SCHEMBL3133551 0.78 MEN1 (0.68) GAAKDM4EMAPTRAB9AFFAR1

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 7 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
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
EP-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 WO 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 (2 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 GAA 1547/4885KDM4E 1562/4885MAPT 1760/4885
US-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA GAA 3977/4885KDM4E 1775/4885MAPT 3554/4885

“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.