SCHEMBL3140784

SCHEMBL3140784

O=C(O)CC(=O)Nc1cc(Br)c(Oc2ccc3ncccc3c2)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.55
THRB P10828 3/20 0.55
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PABPC1 P11940 1/20 0.43
P2RY14 Q15391 2/20 0.42
MCL1 Q07820 1/20 0.42
PPARG P37231 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL3146203 0.83 THRA (0.58) THRATHRBNPC1RAB9AMEN1
SCHEMBL3133764 0.79 THRA (0.54) THRATHRB
SCHEMBL3136298 0.79 THRA (0.51) THRATHRBHDAC1HDAC2
SCHEMBL3141417 0.76 THRA (0.51) THRATHRBHDAC1HDAC2
SCHEMBL5137461 0.76 THRA (0.51) THRATHRBHDAC1HDAC2HDAC8
SCHEMBL3137511 0.74 THRA (0.52) THRATHRBMAPT
Malonic Acid SCHEMBL11881627 0.72 ALDH1A1 (0.60) ALDH1A1NPC1RAB9AMEN1POLB
SCHEMBL19924517 0.72 ALDH1A1 (0.64) ALDH1A1NPC1RAB9AMEN1POLB
SCHEMBL3141283 0.72 HTT (0.44) ALDH1A1NPC1RAB9AMEN1POLB
SCHEMBL29944526 0.71 NPC1 (0.77) ALDH1A1NPC1RAB9ANOTUMMEN1

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 THRA 4/4885THRB 6/4885ALDH1A1 1081/4885

“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.