SCHEMBL2794017

SCHEMBL2794017

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

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
HTT P42858 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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) LMNAHTTNPSR1SMN1; SMN2KMT2A
SCHEMBL2793841 0.88 LMNA (0.55) LMNAHTTNPSR1SMN1; SMN2KMT2A
SCHEMBL2789869 0.86 LMNA (0.52) LMNAHTTNPSR1SMN1; SMN2KMT2A
SCHEMBL10253824 0.84 CYP1A2 (0.52) LMNAHTTNPSR1SMN1; SMN2HPGD
SCHEMBL9056505 0.83 NPC1 (0.57) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL19388337 0.82 CTSS (0.56) LMNAMEN1KMT2ACTSLCTSB
SCHEMBL15113139 0.82 CTSS (0.56) LMNAMEN1KMT2ACTSLCTSB
SCHEMBL192484 0.81 PLAU (0.64) LMNAHTTSMN1; SMN2HPGDMEN1
SCHEMBL28047575 0.81 PLAU (0.64) LMNAHTTSMN1; SMN2HPGDMEN1
SCHEMBL12159688 0.81 KMT2A (0.58) LMNASMN1; SMN2HPGDMEN1TP53

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 7 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
EP-1907361-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen N.V. (BE) 2008-04-09 EP disclosed
EP-1907362-A1 AMIDE DERIVATIVES AS KINASE INHIBITORS Devgen NV (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 1207/4885HTT 1022/4885NPSR1 886/4885
US-20100190788-A1 Amide derivatives as kinase inhitors MAP3K1, MAPK1, MAP3K21 LMNA 762/4885HTT 875/4885NPSR1 1532/4885
US-20090118283-A1 Amide Derivatives as Kinase Inhibitors MAP3K1, CDK1, CDK2 LMNA 1207/4885HTT 1022/4885NPSR1 886/4885

“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.