SCHEMBL5404192

SCHEMBL5404192

Cc1cc(N)c2c(c1I)CCC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
CD44 P16070 1/20 0.33
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BCHE P06276 3/20 0.31
ACHE P22303 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL17659928 0.74 ACHE (0.33) CYP3A4TSHRMAPK1ACHE
SCHEMBL5397520 0.68 CYP1A2 (0.42) CYP3A4TSHRALDH1A1ACHEHSD17B10
SCHEMBL21962356 0.66 ACHE (0.44) MAPK1ACHE
SCHEMBL15471190 0.65 DRD4 (0.39) CYP3A4TSHRNOS3NOS1NOS2
SCHEMBL19791798 0.65 MEN1 (0.43) MAPK1NOS3NOS1NOS2ALDH1A1
SCHEMBL4822580 0.65 ACHE (0.36) CYP3A4TSHRMAPK1NOS3NOS1
SCHEMBL32370030 0.64
SCHEMBL16127181 0.64 CYP3A4 (0.40) CYP3A4TSHRMAPK1CD44ALDH1A1
SCHEMBL10211899 0.64
SCHEMBL19791846 0.64 MEN1 (0.46) TSHRMAPK1NOS3NOS1NOS2

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-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB CYP3A4 1714/4885TSHR 1/4885MAPK1 3226/4885

“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.