SCHEMBL4288927

SCHEMBL4288927

Cc1cc(Br)nc([N+](=O)[O-])c1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
HTT P42858 5/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
ESR2 Q92731 1/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MCL1 Q07820 1/20 0.35
S1PR4 O95977 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
SCHEMBL4288933 1.00 MAPT (0.39) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL12958836 0.89 MAPT (0.39) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL20138029 0.87 MAPT (0.48) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL1812380 0.86 ALDH1A1 (0.41) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL20137995 0.77 TDP1 (0.39) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL2059437 0.75 PTGDR2 (0.47) MAPTALDH1A1TSHRHSD17B10PTGDR2
SCHEMBL4292383 0.75 MEN1 (0.42) MAPTALDH1A1POLBKDM4EALOX15
SCHEMBL2921638 0.73 ALDH1A1 (0.47) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL2921634 0.73 ALDH1A1 (0.47) MAPTHTTALDH1A1NPSR1POLB
SCHEMBL7387172 0.71 KMT2A (0.39) HTTALDH1A1POLBKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 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 (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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R MAPT 4442/4885HTT 3165/4885ALDH1A1 2708/4885

“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.