SCHEMBL6654837

SCHEMBL6654837

CCC1SC(=O)N(Cc2ccc(NC(=O)c3ccccn3)cc2)N=C1c1ccc(OCF)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GRM4 Q14833 7/20 0.44
PDE4A P27815 6/20 0.42
PDE4B Q07343 6/20 0.42
PDE4C Q08493 6/20 0.42
PDE4D Q08499 6/20 0.42
AXL P30530 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AURKB Q96GD4 1/20 0.41
PTPN1 P18031 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 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
SCHEMBL6656851 0.98 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6655979 0.95 KDM4E (0.52) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6657339 0.95 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6656610 0.93 PDE4D (0.42) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6656590 0.92 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6842571 0.92 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6659212 0.92 CCR5 (0.46) SMN1; SMN2NPC1RAB9AGRM4PDE4A
SCHEMBL6837190 0.92 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AKDM4EGRM4
SCHEMBL6660120 0.91 PDE4D (0.42) SMN1; SMN2NPC1RAB9AKDM4EPDE4A
SCHEMBL6844105 0.91 AURKB (0.46) SMN1; SMN2NPC1RAB9AKDM4EGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235845-A1 Use of phosphodiesterase iv inhibitors MERCK PATENT GESSELSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2004-11-25 US disclosed
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed
EP-0763534-B1 Arylalkyl-diazinone derivatives as phosphodiesterase IV inhibitors MERCK PATENT GMBH (DE) 2003-02-26 EP 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 (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-20040235845-A1 Use of phosphodiesterase iv inhibitors PDE4A, PDE3A, PDE3B SMN1; SMN2 2642/4885NPC1 3307/4885RAB9A 2053/4885

“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.