SCHEMBL5401405

SCHEMBL5401405

O=[N+]([O-])c1cc(Br)c(O)c2c1CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ERN1 O75460 1/20 0.39
GPR35 Q9HC97 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
TTR P02766 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL19927214 0.86 GPR35 (0.43) CYP1A2ERN1GPR35ALDH1A1CA12
SCHEMBL850852 0.82 GPR35 (0.53) CYP1A2GPR35ALDH1A1MAPTKDM4E
SCHEMBL5397570 0.79 MEN1 (0.47) CYP1A2GPR35ALDH1A1CA12CA1
SCHEMBL25988421 0.79 GPR35 (0.50) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL11211745 0.74 GPR35 (0.52) CYP1A2ERN1GPR35ALDH1A1CA12
SCHEMBL27921846 0.73 GPR35 (0.41) CYP1A2ERN1GPR35ALDH1A1CA12
SCHEMBL15326756 0.73 GRIN2D (0.48) ERN1GPR35ALDH1A1CA12CA1
SCHEMBL24328520 0.73 ALDH1A1 (0.39) CYP1A2GPR35ALDH1A1MAPTKDM4E
SCHEMBL30773544 0.73 ALDH1A1 (0.39) CYP1A2GPR35ALDH1A1MAPTKDM4E
SCHEMBL30884758 0.72 GPR35 (0.50) CYP1A2GPR35ALDH1A1MAPTKDM4E

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 CYP1A2 1782/4885ERN1 3194/4885GPR35 399/4885

“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.