SCHEMBL7677399

SCHEMBL7677399

CCc1nnc(C(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.35
MAOB P27338 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL12123823 0.82 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL15223529 0.82 ATM (0.36) NPC1RAB9ASMN1; SMN2ATMCA1
SCHEMBL21447009 0.82 ATM (0.40) NPC1RAB9ASMN1; SMN2ATMLMNA
SCHEMBL27335208 0.82 CA1 (0.39) NPC1RAB9ASMN1; SMN2ATMCA1
SCHEMBL12049034 0.80 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2LMNAABCB1
SCHEMBL23047877 0.79 MAOB (0.34) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL22064761 0.79 ATM (0.41) NPC1RAB9ASMN1; SMN2ATMLMNA
SCHEMBL22788212 0.79 ATM (0.37) NPC1RAB9ASMN1; SMN2ATMCA1
SCHEMBL22052108 0.79 MAOB (0.34) NPC1RAB9ASMN1; SMN2LMNAMAOB
SCHEMBL22065385 0.77 ALDH1A1 (0.55) NPC1RAB9ASMN1; SMN2LMNAMEN1

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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
WO-2024115546-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2024-06-06 WO disclosed
WO-2024026500-A2 INHIBITORS OF PDE11A4 AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-02-01 WO disclosed
WO-2023177356-A2 COMPOUNDS AND METHOD FOR PKMYT1 INHIBITION ENGINE BIOSCIENCES PTE. LTD. (SG) 2023-09-21 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2023-02-23 US disclosed
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-22 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
WO-2009155448-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed
WO-2004021987-A2 TREATMENT OF RHEUMATOID ARTHRITIS BY INHIBITION OF PDE4 MERCK & CO., INC. (US) 2004-03-18 WO disclosed
WO-2003018579-A1 ALKYNE-ARYL PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-03-06 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 (9 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 NPC1 3/4885RAB9A 3451/4885SMN1; SMN2 4707/4885
US-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF NPC1 2990/4885RAB9A 1819/4885SMN1; SMN2 4587/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 NPC1 3/4885RAB9A 3451/4885SMN1; SMN2 4707/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 NPC1 410/4885RAB9A 2793/4885SMN1; SMN2 4823/4885
US-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 NPC1 1746/4885RAB9A 2923/4885SMN1; SMN2 2182/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB NPC1 1287/4885RAB9A 2053/4885SMN1; SMN2 2486/4885
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 859/4885RAB9A 876/4885SMN1; SMN2 2298/4885
US-20230058677-A1 POLYCYCLIC PYRIDOPYRAZINE DERIVATIVE C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR3 NPC1 2375/4885RAB9A 2779/4885SMN1; SMN2 4870/4885
US-20100099718-A1 PYRIDINE DERIVATIVE SUBSTITUTED BY HETEROARYL RING, AND ANTIFUNGAL AGENT COMPRISING THE SAME ERG28, CBR3, CBR1 NPC1 210/4885RAB9A 1677/4885SMN1; SMN2 4143/4885

“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.