SCHEMBL4824408

SCHEMBL4824408

CC1CN(CCCBr)c2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NISCH Q9Y2I1 1/20 0.40
▸ REN P00797 3/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GRM2 Q14416 1/20 0.37
▸ SIRT1 Q96EB6 4/20 0.36
▸ SIRT2 Q8IXJ6 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5188335 0.84 MEN1 (0.40) MEN1KMT2ANISCHRENNPC1
SCHEMBL4820186 0.82 GRM2 (0.39) NISCHRENGRM2
SCHEMBL4816886 0.80 HTR1A (0.42) NISCHGRM2SIRT1SIRT2POLB
SCHEMBL17150852 0.73 NISCH (0.50) MEN1KMT2ANISCHNPC1RAB9A
SCHEMBL19393131 0.73 NISCH (0.50) MEN1KMT2ANISCHNPC1RAB9A
SCHEMBL1858436 0.72 HTR1A (0.54) KMT2AMAPTPOLB
SCHEMBL14224015 0.69 LMNA (0.35) RENGRM2SIRT1SIRT2MAPT
SCHEMBL27620816 0.66 NISCH (0.43) MEN1KMT2ANISCHNPC1RAB9A
SCHEMBL23144877 0.65 SIGMAR1 (0.51) MEN1KMT2A
SCHEMBL1764363 0.65 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9AL3MBTL1

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 6 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
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 MEN1 4396/4885KMT2A 2876/4885NISCH 644/4885

“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.

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