SCHEMBL3138142

SCHEMBL3138142

Cc1cc(Br)c(Oc2ccc([N+](=O)[O-])cc2)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.53
HSPB1 P04792 2/20 0.49
HSD17B10 Q99714 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MITF O75030 1/20 0.46
CCR6 P51684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 3/20 0.44
RXFP1 Q9HBX9 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MYOC Q99972 1/20 0.43

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
SCHEMBL14392211 0.92 HTT (0.49) HTTHSPB1HSD17B10ACHEALDH1A1
SCHEMBL3140991 0.87 PTGS1 (0.53) HTTHSPB1HSD17B10ALDH1A1LMNA
SCHEMBL5381954 0.87 HSPB1 (0.51) HTTHSPB1ALDH1A1LMNAMAPT
SCHEMBL3910543 0.85 ALDH1A1 (0.58) HTTHSPB1ALDH1A1LMNAMAPT
SCHEMBL3141199 0.84 HSPB1 (0.62) HTTHSPB1ALDH1A1LMNAMAPT
SCHEMBL3137474 0.84 MEN1 (0.49) HTTHSPB1ALDH1A1LMNAMAPT
SCHEMBL16343154 0.83 HTT (0.55) HTTHSPB1HSD17B10ACHEALDH1A1
SCHEMBL3986085 0.81 HTT (0.53) HTTHSPB1HSD17B10ACHEALDH1A1
SCHEMBL3133551 0.80 MEN1 (0.68) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL3914980 0.80 POLB (0.52) HTTALDH1A1LMNAMAPTNPSR1

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 11 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
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
US-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 US disclosed
EP-2035377-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2009-03-18 EP 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-2007134864-A1 INDOLE DERIVATIVES AND THEIR USE AS THYROID RECEPTOR LIGANDS KARO BIO AB (SE) 2007-11-29 WO 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 (3 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA HTT 2142/4885HSPB1 4452/4885HSD17B10 1595/4885
US-20100004271-A1 HETEROCYCLIC COMPOUNDS AS AGANIST FOR THE THYROID RECEPTOR TSHR, GHSR, TRHR HTT 307/4885HSPB1 3903/4885HSD17B10 764/4885
US-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA HTT 2972/4885HSPB1 4687/4885HSD17B10 1029/4885

“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.