SCHEMBL4593799

SCHEMBL4593799

c1ccc2sc(-c3ccc(Nc4ccncc4)cc3)nc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
KDM4E B2RXH2 2/20 0.73
FLT4 P35916 4/20 0.67
APP P05067 3/20 0.66
GLA P06280 2/20 0.66
GAA P10253 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
NAMPT P43490 1/20 0.60
KDR P35968 5/20 0.60
EGFR P00533 3/20 0.60
ERBB2 P04626 2/20 0.60
AURKA O14965 5/20 0.60
INSR P06213 3/20 0.60
TP53 P04637 2/20 0.58
MMP9 P14780 2/20 0.58
MMP8 P22894 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL25547107 0.95 NPC1 (0.77) NPC1RAB9AKDM4EFLT4APP
SCHEMBL24155562 0.92 APP (0.76) NPC1RAB9AKDM4EFLT4APP
SCHEMBL14195557 0.89 APP (0.71) NPC1RAB9AKDM4EFLT4APP
SCHEMBL22879575 0.88 APP (0.69) NPC1RAB9AKDM4EFLT4APP
SCHEMBL5260406 0.86 RAB9A (0.61) NPC1RAB9AKDM4EFLT4APP
SCHEMBL4729573 0.85 RAB9A (1.00) NPC1RAB9AKDM4EAPPGLA
SCHEMBL24156180 0.83 NPC1 (0.71) NPC1RAB9AKDM4EFLT4APP
SCHEMBL4593253 0.83 FLT4 (0.71) NPC1RAB9AKDM4EFLT4APP
SCHEMBL26467173 0.82 FLT4 (0.64) NPC1RAB9AKDM4EFLT4APP
SCHEMBL8397393 0.82 APP (0.76) NPC1RAB9AKDM4EFLT4APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910349-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2008-04-16 EP disclosed
WO-2007009524-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2007-01-25 WO disclosed
WO-2007009524-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2007-01-25 WO disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 US disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 US disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 US disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 EP disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 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-20070021446-A1 2-arylbenzothiazole analogues and uses thereof NR2E1, NR2E3, NR0B2 NPC1 4075/4885RAB9A 3722/4885KDM4E 2243/4885

“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.