SCHEMBL2988341

SCHEMBL2988341

CC(C)(NC(=O)O)C(=O)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4nccnc4c3)S2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.36
NPC1 O15118 8/20 0.36
RAB9A P51151 8/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 7/20 0.36
MEN1 O00255 5/20 0.36
POLB P06746 4/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
CLK1 P49759 2/20 0.36
DYRK1A Q13627 2/20 0.36
DYRK2 Q92630 2/20 0.36

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
SCHEMBL2988339 1.00 CISD1 (0.36) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2992895 0.91 NPC1 (0.39) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2992893 0.91 NPC1 (0.39) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2986112 0.91 DYRK3 (0.40) CISD1NPC1RAB9AALDH1A1HPGD
SCHEMBL2986120 0.91 DYRK3 (0.40) CISD1NPC1RAB9AALDH1A1HPGD
SCHEMBL4949454 0.90 CISD1 (0.40) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2990900 0.84 ALOX5 (0.44) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2990895 0.84 ALOX5 (0.44) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2994951 0.84 KMT2A (0.41) CISD1NPC1RAB9AKDM4EALDH1A1
SCHEMBL2994948 0.84 KMT2A (0.41) CISD1NPC1RAB9AKDM4EALDH1A1

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US claimed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP claimed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (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-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885NPC1 2692/4885RAB9A 2892/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 CISD1 3112/4885NPC1 2040/4885RAB9A 1181/4885

“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.