SCHEMBL4344461

SCHEMBL4344461

O=C(O)COc1cccc(CNC2CC2)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
PTGDR Q13258 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B1 P15121 1/20 0.39

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
SCHEMBL10186708 0.84 POLB (0.48) HTTKMT2AMEN1HPGDKDM4E
SCHEMBL791499 0.81 GAA (0.53) HTTKMT2AMEN1PTGDR2L3MBTL1
SCHEMBL12138315 0.80 L3MBTL1 (0.39) HTTKMT2AMEN1PKML3MBTL1
SCHEMBL12138321 0.78 ALDH1A1 (0.42) KMT2AMEN1L3MBTL1KDM4EALDH1A1
SCHEMBL662348 0.77 MEN1 (0.43) HTTKMT2AMEN1L3MBTL1KDM4E
SCHEMBL662761 0.77 MEN1 (0.37) HTTKMT2AMEN1KDM4EPOLB
SCHEMBL12510192 0.77 L3MBTL1 (0.50) HTTKMT2AMEN1PTGDR2PKM
SCHEMBL660631 0.76 CNR2 (0.42) KMT2AMEN1L3MBTL1ALDH1A1TDP1
SCHEMBL10186712 0.75 CNR2 (0.43) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL10283531 0.72 TSHR (0.49) HTTKMT2AMEN1PTGDR2PKM

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-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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-20090281103-A1 Renin Inhibitors REN, ACE, AGT HTT 4174/4885KMT2A 4576/4885MEN1 3226/4885

“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.