SCHEMBL6483036

SCHEMBL6483036

Cc1cc(C)c2nc(SCc3cn4ccccc4n3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.64
RAB9A P51151 10/20 0.64
PKM P14618 3/20 0.64
KDM4E B2RXH2 2/20 0.62
MAPT P10636 5/20 0.55
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 8/20 0.49
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
SIRT5 Q9NXA8 1/20 0.48
DAPK3 O43293 1/20 0.48
ROCK2 O75116 1/20 0.48
PIM1 P11309 1/20 0.48
RPS6KB1 P23443 1/20 0.48
RPS6KA3 P51812 1/20 0.48
CSNK2A1 P68400 1/20 0.48
DYRK1A Q13627 1/20 0.48
PIM3 Q86V86 1/20 0.48
AURKB Q96GD4 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48

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
SCHEMBL10666500 0.78 NPC1 (1.00) NPC1RAB9APKMKDM4EMAPT
SCHEMBL10769486 0.77 KMT2A (0.42) NPC1RAB9APKMKDM4EMAPT
SCHEMBL11685278 0.77 CYP1A2 (0.68) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL6475249 0.75 CYP1A2 (0.46) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL16998660 0.72 RAB9A (0.68) NPC1RAB9APKMKDM4EMAPT
SCHEMBL9517906 0.68 RAB9A (0.66) NPC1RAB9APKMKDM4EMAPT
SCHEMBL859672 0.67 RAB9A (0.60) NPC1RAB9APKMKDM4EMAPT
SCHEMBL14488187 0.67 DAO (0.58) NPC1RAB9APKMKDM4EMAPT
Hydrochloric Acid SCHEMBL859401 0.66 RAB9A (0.58) NPC1RAB9APKMKDM4EMAPT
SCHEMBL24408129 0.66 SMN1; SMN2 (0.66) NPC1RAB9APKMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
US-20220144840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF AMYLOID-RELATED DISEASES D. E. SHAW RESEARCH, LLC 2022-05-12 US disclosed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
EP-0242341-A1 Benzimidazoles, process for their preparation and preparations containing same Aktiebolaget Hässle (SE) 1987-10-21 EP disclosed
WO-1987005021-A1 BENZIMIDAZOLES AND THEIR PHARMACEUTICAL USE Aktiebolaget Hässle (SE) 1987-08-27 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 NPC1 363/4885RAB9A 486/4885PKM 2131/4885
US-20220144840-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF AMYLOID-RELATED DISEASES APP, PSEN1, BACE1 NPC1 78/4885RAB9A 1350/4885PKM 1938/4885

“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.