SCHEMBL2895263

SCHEMBL2895263

COc1ccc(-n2ncc(Br)c(Br)c2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
SMN1; SMN2 Q16637 6/20 0.69
NPSR1 Q6W5P4 6/20 0.69
RAB9A P51151 5/20 0.69
NPC1 O15118 4/20 0.69
MAPT P10636 4/20 0.69
HTT P42858 4/20 0.69
RXFP1 Q9HBX9 2/20 0.69
XBP1 P17861 2/20 0.69
NPBWR1 P48145 13/20 0.65
PAX8 Q06710 3/20 0.64
LMNA P02545 2/20 0.64
MCHR1 Q99705 7/20 0.61
S1PR4 O95977 1/20 0.60
S1PR1 P21453 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
GAA P10253 1/20 0.55
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL3028836 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL13290336 0.81 RAB9A (0.60) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL11582931 0.79 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL4675793 0.79 RAB9A (0.71) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL2887406 0.79 RAB9A (0.71) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL4187625 0.79 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL4743412 0.78 RAB9A (1.00) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL21526731 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL2894611 0.75 RAB9A (0.69) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL11728795 0.75 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2NPSR1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732456-B2 Pyridone derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 US disclosed
US-20070208046-A1 Pyridone derivative MSD K.K. (JP) 2007-09-06 US disclosed
EP-1741703-A1 PYRIDONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20070208046-A1 Pyridone derivative CHRM1, XDH, MTR ALDH1A1 1714/4885SMN1; SMN2 1299/4885NPSR1 245/4885

“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.