SCHEMBL661523

SCHEMBL661523

COCCCc1cc(C=O)c2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 2/20 0.39
▸ NCF1 P14598 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ REN P00797 1/20 0.37
▸ TACR3 P29371 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37
▸ PLA2G2A P14555 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL11942312 0.82 KDM4E (0.47) KDM4ETP53NCF1ALDH1A1GAA
SCHEMBL660585 0.80 KDM4E (0.44) KDM4ETP53NCF1ALDH1A1REN
SCHEMBL1228082 0.76 KDM4E (0.58) KDM4ETP53ALDH1A1GAAMCL1
SCHEMBL1228546 0.74 REN (0.39) KDM4ETP53NCF1ALDH1A1GAA
SCHEMBL27774889 0.74 NCF1 (0.43) KDM4ENCF1PDE10A
SCHEMBL662410 0.73 KDM4E (0.56) KDM4ETP53ALDH1A1GAAPDE10A
SCHEMBL19651360 0.72 NPC1 (0.44) KDM4EALDH1A1GAAPDE10AMEN1
SCHEMBL23152002 0.72 LMNA (0.48) KDM4EALDH1A1GAAMCL1MEN1
SCHEMBL29935837 0.72 LMNA (0.48) KDM4EALDH1A1GAAMCL1MEN1
SCHEMBL664247 0.71 REN (0.42) TP53NCF1ALDH1A1RENTACR3

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
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
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 (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 KDM4E 3884/4885TP53 4790/4885NCF1 3034/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT KDM4E 3615/4885TP53 4862/4885NCF1 2366/4885

“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.

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