SCHEMBL14840478

SCHEMBL14840478

Clc1ccccc1C1COc2cc(Br)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
EPAS1 Q99814 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
DPP4 P27487 1/20 0.34
CYP19A1 P11511 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
AHR P35869 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
SCHEMBL14840513 0.80 MEN1 (0.39) MAPTEPAS1ALDH1A1MEN1GAA
SCHEMBL14841020 0.76 LPL (0.35) MAPTDRD2DRD3
SCHEMBL14840700 0.74 BACE1 (0.32) MAPTEPAS1CYP19A1GABRA1GABRA5
SCHEMBL24969126 0.73 KDM1A (0.40) MAPTDRD2DRD3DPP4CYP19A1
SCHEMBL30152247 0.73 KDM1A (0.40) MAPTDRD2DRD3DPP4CYP19A1
SCHEMBL34463405 0.70 AR (0.40) MAPTCYP19A1MEN1POLBKMT2A
SCHEMBL1438936 0.70 SMN1; SMN2 (0.45) MAPTALDH1A1TAAR1DPP4GAA
SCHEMBL18937477 0.70 BLM (0.37) MAPTCYP19A1HSP90AA1MEN1POLB
SCHEMBL10197527 0.70 AR (0.40) MAPTCYP19A1MEN1POLBKMT2A
SCHEMBL1438939 0.70 SMN1; SMN2 (0.45) MAPTALDH1A1TAAR1DPP4GAA

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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 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-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 MAPT 3547/4885EPAS1 511/4885DRD2 3219/4885

“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.