SCHEMBL4111399

SCHEMBL4111399

Cc1cccc(C(=O)NCCc2cccc(Oc3ccnc(-c4ncc[nH]4)c3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDR P35968 8/20 0.46
FLT1 P17948 3/20 0.46
SNCA P37840 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
KDM5B Q9UGL1 2/20 0.46
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LOX P28300 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL4097838 0.84 CDK8 (0.45) KDRFLT1KDM5BKDM4EKDM5A
SCHEMBL4107435 0.83 RAB9A (0.51) NPC1RAB9AKDRFLT1SNCA
SCHEMBL14273351 0.83 RAB9A (0.58) NPC1RAB9AKDRFLT1SNCA
SCHEMBL3986457 0.81 NPC1 (0.56) NPC1RAB9AKDRSNCAKDM5B
SCHEMBL5119964 0.80 NPC1 (0.55) NPC1RAB9ASNCAKDM5BKDM4E
SCHEMBL5115919 0.76 RAB9A (0.45) NPC1RAB9ASNCAKDM5BKDM4E
SCHEMBL4424951 0.76 BRAF (0.43) NPC1RAB9AKDRFLT1KDM5B
SCHEMBL17303815 0.75 NPC1 (0.59) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL14266586 0.74 BRAF (0.51) NPC1RAB9AKDRKDM4EMEN1
SCHEMBL18773973 0.74 NPC1 (0.86) NPC1RAB9AKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061761-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY Millennium Pharmaceuticals, Inc. (US) 2009-05-27 EP disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
US-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 US disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 WO disclosed
WO-2008030448-A1 PHENETHYLAMIDE DERIVATIVES WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-13 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-20080064729-A1 Phenethylamide derivatives with kinase inhibitory activity MAP4K5, MAP3K5, MAP4K2 NPC1 3081/4885RAB9A 1730/4885KDR 1073/4885

“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.