SCHEMBL2596751

SCHEMBL2596751

Nc1ccc2c(c1)NC(CO)CO2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CREBBP Q92793 1/20 0.33
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3587072 0.88 GAA (0.37) GAAKDM4EMAPTCHRNB4CHRNA3
SCHEMBL3591700 0.88 GAA (0.37) GAAKDM4EMAPTCHRNB4CHRNA3
SCHEMBL13544000 0.88 GAA (0.37) GAAKDM4EMAPTCHRNB4CHRNA3
SCHEMBL3587070 0.88 GAA (0.37) GAAKDM4EMAPTCHRNB4CHRNA3
SCHEMBL11559294 0.86 GAA (0.38) GAAKDM4EMAPTCHRNB4CHRNA3
SCHEMBL27663129 0.81 CHEK1 (0.42) GAAMAPT
SCHEMBL27663070 0.81 GAA (0.45) GAAMAPTCREBBP
SCHEMBL16193913 0.78 CYP19A1 (0.39) GAAMAPTNPC1LMNARAB9A
SCHEMBL5466546 0.77 GAA (0.57) GAAMAPTCREBBPLMNASMN1; SMN2
SCHEMBL11560241 0.76 NQO2 (0.33) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US claimed
US-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS SHANDONG UNIVERSITY (CN) 2012-05-17 US claimed
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP disclosed
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US disclosed
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US disclosed
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US disclosed
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US disclosed
US-9101634-B2 Application of 2, 3-dihydro-3-hydroxymethyl-6-amino-[1,4]-benzoxazine in preparation of drugs inducing embryonic stem cells to differentiate to vascular endothelial cells SHANDONG UNIVERSITY (CN) 2015-08-11 US disclosed
CN-102784148-A Application of 2,3-dihydro-3-methylol-6-amino-(1,4)-benzoxazine to preparation of medicine for stabilizing atherosclerosis plaques UNIV SHANDONG 2012-11-21 CN disclosed
CN-102784148-A Application of 2,3-dihydro-3-methylol-6-amino-(1,4)-benzoxazine to preparation of medicine for stabilizing atherosclerosis plaques UNIV SHANDONG 2012-11-21 CN disclosed
US-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
US-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS SHANDONG UNIVERSITY (CN) 2012-05-17 US disclosed
WO-2011143927-A1 USE OF 2,3-DIHYDRO-3-HYDROXYMETHYL-6-AMINO-1,4-BENZOXAZINE IN PREPARING MEDICAMENTS FOR INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE INTO VASCULAR ENDOTHELIAL CELLS 山东大学 (CN) 2011-11-24 WO disclosed
CN-1847232-A 2,3-dihydro-3-hydroxymethyl-[1,4]-benzoxazine derivative and its prepn process UNIV SHANDONG (CN) 2006-10-18 CN 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-20120123116-A1 APPLICATION OF 2, 3 - DIHYDRO-3 - HYDROXYMETHYL -6 - AMINO - [1,4 ] - BENZOXAZINE IN PREPARATION OF DRUGS INDUCING EMBRYONIC STEM CELLS TO DIFFERENTIATE TO VASCULAR ENDOTHELIAL CELLS EDF1, CBX6, MCL1 GAA 4233/4885KDM4E 159/4885MAPT 4645/4885

“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.