SCHEMBL4292383

SCHEMBL4292383

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
AKR1B1 P15121 1/20 0.40
FBP1 P09467 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 3/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
TPMT P51580 1/20 0.38

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
SCHEMBL8240786 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL3201351 0.83 KMT2A (0.55) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL4764432 0.78 CYP1A2 (0.40) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL2059437 0.77 PTGDR2 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL26685275 0.76 FBP1 (0.45) MEN1KMT2AALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4764421 0.75 CYP1A2 (0.38) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL5412036 0.75 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EAKR1B1
SCHEMBL4288933 0.75 MAPT (0.39) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL4288927 0.75 MAPT (0.39) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7387172 0.74 KMT2A (0.39) MEN1KMT2AALDH1A1KDM4EPOLB

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 MEN1 400/4885KMT2A 2408/4885ALDH1A1 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.