SCHEMBL4826424

SCHEMBL4826424

COC(Cc1ccc(NCCCN2CCOc3cc(F)ccc32)cc1)C(=O)O.[MgH2]

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
RORC P51449 5/20 0.35
NPY5R Q15761 2/20 0.35
PTPRF P10586 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
GAA P10253 1/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
RIPK1 Q13546 1/20 0.33

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
SCHEMBL4826402 1.00 ALDH1A1 (0.37) ALDH1A1HTTRECQLHPGDTSHR
SCHEMBL4822973 0.99 TSHR (0.37) ALDH1A1HTTRECQLHPGDTSHR
SCHEMBL1861829 0.99 TSHR (0.37) ALDH1A1HTTRECQLHPGDTSHR
SCHEMBL4826408 0.92 RORC (0.37) ALDH1A1HTTRECQLHPGDTSHR
SCHEMBL4859010 0.92 PPARG (0.42) ALDH1A1HTTRECQLRORCPTPRF
SCHEMBL4823758 0.92 RORC (0.38) ALDH1A1HTTRECQLHPGDTSHR
SCHEMBL1862780 0.91 PPARA (0.42) RORCPTPRFPTPN2PTPN1PPARG
SCHEMBL1859289 0.91 RORC (0.38) ALDH1A1HTTRECQLHPGDTSHR
SCHEMBL4825023 0.91 PPARA (0.42) RORCPTPRFPTPN2PTPN1PPARG
SCHEMBL14194967 0.90 RORC (0.36) ALDH1A1HTTRECQLHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US disclosed
EP-1436268-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Reddy's Laboratories Ltd. (IN) 2004-07-14 EP disclosed
WO-2003033481-A1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND PARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2003-04-24 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-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them CYP3A5, HBZ, CYP4Z1 ALDH1A1 1644/4885HTT 383/4885RECQL 4082/4885

“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.