SCHEMBL3975161

SCHEMBL3975161

CC(=O)Nc1cc(Br)c(Oc2ccc3[nH]c(CC(C)C)nc3c2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LDHA P00338 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 3/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL3979678 0.89 THRA (0.56) THRATHRBALDH1A1LDHAMAPT
SCHEMBL4298149 0.89 THRA (0.46) THRATHRBALDH1A1SMN1; SMN2LDHA
SCHEMBL4563227 0.82 THRB (0.37) THRATHRBGRIN1GRIN2B
SCHEMBL3989613 0.82 THRB (0.41) THRATHRBKDM4EMAPT
SCHEMBL3981701 0.80 THRA (0.39) THRATHRBLDHAKDM4EMAPT
SCHEMBL3985944 0.80 THRA (0.39) THRATHRBLDHAKDM4EMAPT
SCHEMBL3981706 0.80 THRA (0.39) THRATHRBLDHAKDM4EMAPT
SCHEMBL4298483 0.76 THRA (0.45) THRATHRBALDH1A1LDHAMAPT
SCHEMBL3982085 0.74 GRIN1 (0.35) THRATHRBGRIN1GRIN2BLDHA
SCHEMBL3982088 0.74 GRIN1 (0.33) THRATHRBGRIN1GRIN2BNPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO claimed
US-20090318514-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2009-12-24 US disclosed
WO-2009080835-A1 THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING KARO BIO AB (SE) 2009-07-02 WO disclosed
EP-2024336-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2009-02-18 EP disclosed
WO-2007128492-A1 NOVEL PHARMACEUTICAL COMPOSITIONS KARO BIO AB (SE) 2007-11-15 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-20090318514-A1 Novel Pharmaceutical Compositions TSHR, TRHR, THRA THRA 3/4885THRB 5/4885GRIN1 2827/4885

“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.