SCHEMBL662398

SCHEMBL662398

COC/C=C/c1cc(C(=O)NC2CC2)cc(/C=C/COC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMYD3 Q9H7B4 3/20 0.42
HPGDS O60760 4/20 0.41
MCHR1 Q99705 5/20 0.41
BRD4 O60885 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CNR1 P21554 1/20 0.39
KCNH2 Q12809 1/20 0.39
AURKB Q96GD4 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 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
SCHEMBL662399 1.00 MEN1 (0.44) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL660914 0.92 TAS1R3 (0.42) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL660913 0.92 TAS1R3 (0.42) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518229 0.84 MCHR1 (0.47) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518228 0.84 MCHR1 (0.47) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518354 0.78 MEN1 (0.41) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL1518352 0.78 MEN1 (0.41) MEN1KMT2ASMYD3HPGDSMCHR1
SCHEMBL3089759 0.73 HPGD (0.47) SMYD3NPC1
SCHEMBL3089762 0.73 HPGD (0.47) SMYD3NPC1
SCHEMBL1518397 0.71 KMT2A (0.40) MEN1KMT2AMCHR1ALDH1A1CNR1

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-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 MEN1 3395/4885KMT2A 4587/4885SMYD3 4606/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT MEN1 3226/4885KMT2A 4576/4885SMYD3 4662/4885

“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.