SCHEMBL662440

SCHEMBL662440

O=C(NC1CC1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 3/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
NPC1 O15118 2/20 0.47
HPGD P15428 2/20 0.47
GPR119 Q8TDV5 1/20 0.47
BRD4 O60885 1/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
S1PR2 O95136 1/20 0.46
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
Bicarbonate SCHEMBL6667196 0.96 RAB9A (0.49) SMYD3TDP1L3MBTL1RAB9ATAS1R3
SCHEMBL661794 0.85 TAS1R3 (0.69) SMYD3TDP1RAB9ATAS1R3TAS1R1
SCHEMBL6665278 0.83 MAPK14 (0.46) TDP1RAB9ANPC1BRD4S1PR2
SCHEMBL25485410 0.82 CD38 (0.52)
SCHEMBL30230861 0.82 CD38 (0.52)
SCHEMBL2909582 0.82 RAB9A (0.57) SMYD3L3MBTL1RAB9ANPC1HPGD
SCHEMBL1545437 0.78 TDP1 (0.44) SMYD3TDP1L3MBTL1RAB9ATAS1R3
SCHEMBL23060397 0.76 S1PR2 (0.50) TDP1TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL25485441 0.75 CD38 (0.49)
SCHEMBL14060788 0.75 HPGD (0.49) SMYD3L3MBTL1RAB9ATAS1R3TAS1R2

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 6 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
US-3983126-A SEDATIVES DUFOUR CLAUDE 1976-09-28 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 SMYD3 4606/4885TDP1 3552/4885L3MBTL1 4007/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT SMYD3 4662/4885TDP1 3674/4885L3MBTL1 4831/4885

“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.