SCHEMBL10186708

SCHEMBL10186708

CCOC(=O)COc1cccc(CNC2CC2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
USP2 O75604 1/20 0.42
NLRP3 Q96P20 2/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
ABCB1 P08183 1/20 0.40
PTPN1 P18031 1/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ITGA4 P13612 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
SCHEMBL662348 0.89 MEN1 (0.43) POLBMEN1KMT2AABL1RIN1
SCHEMBL660631 0.87 CNR2 (0.42) POLBMEN1KMT2AABL1RIN1
SCHEMBL4344461 0.84 HTT (0.46) POLBMEN1KMT2AABL1RIN1
SCHEMBL12138321 0.79 ALDH1A1 (0.42) POLBMEN1KMT2AABL1RIN1
SCHEMBL10186712 0.76 CNR2 (0.43) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL12138315 0.75 L3MBTL1 (0.39) POLBMEN1KMT2AABL1RIN1
SCHEMBL662761 0.74 MEN1 (0.37) POLBMEN1KMT2AABL1RIN1
SCHEMBL15056040 0.74 ALDH1A1 (0.52) POLBMEN1KMT2AUSP2KDM4E
SCHEMBL16147615 0.74 MEN1 (0.50) POLBMEN1KMT2AABL1RIN1
SCHEMBL18301092 0.73 NLRP3 (0.52) USP2NLRP3KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 POLB 2865/4885MEN1 3395/4885KMT2A 4587/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT POLB 2408/4885MEN1 3226/4885KMT2A 4576/4885

“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.