SCHEMBL2789869

SCHEMBL2789869

O=C(NCC(=O)c1ccc(C(=O)Cl)cc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
KDM1A O60341 1/20 0.46
RCOR1 Q9UKL0 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TGM2 P21980 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL3230023 0.90 LMNA (0.59) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL2793841 0.88 LMNA (0.55) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL2794017 0.86 LMNA (0.57) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL6558145 0.84 HDAC1 (0.62) LMNASMN1; SMN2ALDH1A1HTTHDAC3
SCHEMBL9056505 0.83 NPC1 (0.57) LMNASMN1; SMN2ALDH1A1CTSLCTSB
SCHEMBL6558232 0.82 SMN1; SMN2 (0.58) LMNASMN1; SMN2ALDH1A1HTTHDAC3
SCHEMBL3253354 0.82 LMNA (0.61) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL21480733 0.81 HTT (0.51) LMNASMN1; SMN2ALDH1A1HTTCTSL
SCHEMBL10366198 0.79 POLB (0.64) SMN1; SMN2ALDH1A1KDM1ARCOR1KMT2A
SCHEMBL20008740 0.79 L3MBTL1 (0.71) LMNASMN1; SMN2HTTKMT2ATGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190788-A1 Amide derivatives as kinase inhitors DEVGEN N.V. (BE) 2010-07-29 US disclosed
US-20100168102-A9 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2010-07-01 US disclosed
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors DEVGEN NV (BE) 2009-05-07 US disclosed
CN-101296904-A Amide derivatives as kinase inhibitors DEVGEN NV (BE) 2008-10-29 CN disclosed
CN-101248046-A Amide derivatives as kinase inhibitors DEVGEN NV (BE) 2008-08-20 CN disclosed
EP-1907362-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen NV (BE) 2008-04-09 EP disclosed
EP-1907361-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen N.V. (BE) 2008-04-09 EP disclosed
WO-2007006547-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 WO disclosed
WO-2007006546-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS DEVGEN N.V. (BE) 2007-01-18 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-20100168102-A9 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 LMNA 1207/4885SMN1; SMN2 3334/4885ALDH1A1 2175/4885
US-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 LMNA 762/4885SMN1; SMN2 3251/4885ALDH1A1 2260/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 LMNA 1207/4885SMN1; SMN2 3334/4885ALDH1A1 2175/4885

“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.