SCHEMBL2549337

SCHEMBL2549337

Cc1cc(-c2ccccc2Cl)ccc1CO

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
TNKS2 Q9H2K2 1/20 0.46
PDCD1 Q15116 3/20 0.44
CD274 Q9NZQ7 3/20 0.44
MAOB P27338 2/20 0.44
PLA2G7 Q13093 1/20 0.40
PDK2 Q15119 1/20 0.40
PAK1 Q13153 1/20 0.39
USP7 Q93009 1/20 0.39
BACE1 P56817 1/20 0.39
TRPA1 O75762 1/20 0.39
PIM1 P11309 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HSD11B1 P28845 1/20 0.38
AOC3 Q16853 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL8496284 0.81 HPGD (0.48) PDCD1CD274BACE1AR
SCHEMBL2548717 0.81 AR (0.44) CYP2A6TNKS2MAOBPLA2G7PDK2
SCHEMBL27781520 0.78 TNKS2 (0.53) CYP2A6TNKS2MAOBPLA2G7PDK2
SCHEMBL14525313 0.78 PDCD1 (0.42) PDCD1CD274PDK2
SCHEMBL7944717 0.77 CYP11B1 (0.45) PDCD1CD274
SCHEMBL5263743 0.77 PDCD1 (0.48) PDCD1CD274
SCHEMBL14524966 0.77 SLC1A3 (0.41) PDCD1CD274
SCHEMBL11884917 0.77 MAOB (0.47) CYP2A6MAOBPDK2PAK1USP7
SCHEMBL14524888 0.76 ESR2 (0.54) PDCD1CD274TRPA1AR
SCHEMBL14524935 0.75 ALOX5 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190811-B1 RENIN INHIBITORS MERCK CANADA INC (CA) 2013-08-07 EP disclosed
US-8334308-B2 Renin inhibitors MERCK SHARP & DOHME CORP. (US) 2012-12-18 US disclosed
US-20110263658-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2011-10-27 US disclosed
EP-2190811-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2010-06-02 EP disclosed
WO-2009023964-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-02-26 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-20110263658-A1 RENIN INHIBITORS REN, ACE, AGTR1 CYP2A6 196/4885TNKS2 3716/4885PDCD1 2515/4885

“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.