SCHEMBL4289394

SCHEMBL4289394

CCOC(=O)c1cc(Br)c(OCC(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.47
MAPT P10636 6/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 3/20 0.47
PTGER4 P35408 1/20 0.47
NPC1 O15118 3/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
ESR1 P03372 1/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL2818590 0.78 LMNA (0.52) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL4291025 0.77 ESR1 (0.58) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL5218836 0.77 NPC1 (0.58) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL26120722 0.77 ALDH1A1 (0.49) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL12480066 0.76 KMT2A (0.54) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL8240786 0.75 MEN1 (0.43) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL21839987 0.74 TPMT (0.56) KMT2AMAPTPOLBKDM4EMAPK1
SCHEMBL4289412 0.74 LMNA (0.44) LMNAKMT2AMAPTALDH1A1RAB9A
SCHEMBL4289353 0.74 KMT2A (0.42) LMNAKMT2AMAPTALDH1A1PKM
SCHEMBL6815909 0.74 KMT2A (0.59) LMNAKMT2AMAPTALDH1A1RAB9A

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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R LMNA 2152/4885KMT2A 2408/4885MAPT 4442/4885

“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.