SCHEMBL660585

SCHEMBL660585

COCCCc1cc(CO)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
REN P00797 1/20 0.43
NCF1 P14598 2/20 0.43
TP53 P04637 1/20 0.42
TACR3 P29371 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
ACACA Q13085 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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 0.90 KDM4E (0.47) KDM4ERENNCF1TP53MEN1
SCHEMBL8673292 0.83 KDM4E (0.55) KDM4EMEN1KMT2ALMNAHPGD
SCHEMBL1228546 0.82 REN (0.39) KDM4ERENNCF1TP53KMT2A
SCHEMBL1228082 0.81 KDM4E (0.58) KDM4ETP53TACR3MEN1KMT2A
SCHEMBL4197109 0.81 ALDH1A1 (0.45) KDM4ENCF1MEN1KMT2ALMNA
SCHEMBL8264291 0.81 LTB4R (0.49) KDM4ENCF1LMNAHPGDSMN1; SMN2
SCHEMBL664247 0.81 REN (0.42) RENNCF1TP53TACR3MEN1
SCHEMBL661523 0.80 KDM4E (0.41) KDM4ERENNCF1TP53TACR3
SCHEMBL89580 0.78 NCF1 (0.49) NCF1LMNAHPGDSMN1; SMN2
SCHEMBL662410 0.77 KDM4E (0.56) KDM4ETP53MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP 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
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 WO 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 (3 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 3884/4885REN 1/4885NCF1 3034/4885
US-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 KDM4E 3912/4885REN 1/4885NCF1 2805/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT KDM4E 3615/4885REN 1/4885NCF1 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.