SCHEMBL4823007

SCHEMBL4823007

BrCCCN1CCSc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 9/20 0.45
TP53 P04637 5/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
NOTUM Q6P988 1/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7528285 0.80 MAPT (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7258139 0.80 POLB (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7266307 0.78 MAPT (0.49) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12649500 0.76 POLB (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3965014 0.76 MAPT (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3965007 0.76 MAPT (0.52) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5660958 0.71 ALDH1A1 (0.72) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL30808595 0.71 MAPT (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5112777 0.71 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5807544 0.70 MAPT (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT

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 8 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-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
US-7365064-B2 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-29 US disclosed
CN-1982299-A Benzoxasine and benzothiasine derivatives and pharmaceutical composition containing the same REDDY RES FOUNDATION (IN) 2007-06-20 CN disclosed
US-20050113368-A1 Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2005-05-26 US disclosed
CN-1596249-A benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them REDDYS LAB LTD DR (IN) 2005-03-16 CN 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 1644/4885KDM4E 2322/4885MEN1 4396/4885

“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.