SCHEMBL1173417

SCHEMBL1173417

O=C(Cl)[C@@H](Br)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
MDM2 Q00987 1/20 0.47
CPA1 P15085 3/20 0.46
CPA3 P15088 3/20 0.46
FOLH1 Q04609 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
SRR Q9GZT4 2/20 0.44
EPHX1 P07099 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL1173415 1.00 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4316458 0.83 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4826192 0.83 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL490844 0.83 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL17763412 0.83 CYP1A2 (0.56) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL11856321 0.82 PPARG (0.44) EPHX1NPC1RAB9A
Bromide SCHEMBL1596942 0.81 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL1596941 0.81 CYP1A2 (0.54) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL5246633 0.79 EPHX1 (0.58) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL3713994 0.79 ALPI (0.53) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US disclosed
CN-102639516-A 3-amino-5-phenyl-5, 6-dihydro-2H- [1,4] oxazine derivatives HOFFMANN LA ROCHE 2012-08-15 CN disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 US 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 (3 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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP CYP1A2 260/4885ALPI 96/4885PKM 2658/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP CYP1A2 267/4885ALPI 123/4885PKM 2473/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP CYP1A2 267/4885ALPI 123/4885PKM 2473/4885

“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.