SCHEMBL499183

SCHEMBL499183

CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
RAB9A P51151 2/20 0.61
HTT P42858 1/20 0.61
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 1/20 0.39
CTSL P07711 1/20 0.38
FNIP1 Q8TF40 1/20 0.38
FEM1B Q9UK73 1/20 0.38
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MLYCD O95822 1/20 0.35

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
SCHEMBL4753733 0.85 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL10254268 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL499710 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL23818006 0.77 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL4754228 0.76 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL30797543 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL20400038 0.74 BCL2A1 (0.44) ALDH1A1SMN1; SMN2RAB9AHTTNPC1
SCHEMBL3651288 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL9525464 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2RAB9AHTTLMNA
SCHEMBL8943566 0.73 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9AHTTLMNA

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-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP ALDH1A1 1991/4885SMN1; SMN2 3254/4885RAB9A 828/4885

“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.