SCHEMBL6837202

SCHEMBL6837202

CCOc1ccc(C2=NN(Cc3ccc(NC(=O)c4ccccn4)cc3)C(=O)OC2CC)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GRM4 Q14833 6/20 0.44
PKM P14618 2/20 0.43
MITF O75030 1/20 0.43
PDE4A P27815 6/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
CFTR P13569 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
AURKB Q96GD4 1/20 0.41
MAPT P10636 2/20 0.41
AXL P30530 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6657420 0.97 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6654824 0.96 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6658940 0.95 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6663134 0.93 PDE4D (0.41) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6659309 0.92 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6656202 0.92 NPC1 (0.46) SMN1; SMN2NPC1RAB9AGRM4PDE4A
SCHEMBL6844143 0.92 AURKB (0.46) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6656317 0.91 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6654732 0.91 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6654883 0.90 PDE4D (0.41) SMN1; SMN2NPC1RAB9AKDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067252-A1 Novel modified release formulation ASTRAZENECA AB (SE) 2004-04-08 US claimed
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
US-5859008-A Arylalkyl diazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-01-12 US disclosed
EP-0763534-A1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GmbH (DE) 1997-03-19 EP 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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B SMN1; SMN2 2642/4885NPC1 3307/4885RAB9A 2053/4885
US-20040067252-A1 Novel modified release formulation ABCB11, SLC47A1, LIPA SMN1; SMN2 2313/4885NPC1 69/4885RAB9A 2931/4885

“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.