SCHEMBL8536855

SCHEMBL8536855

CCOC[CH]c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ATM Q13315 1/20 0.48
NR4A1 P22736 1/20 0.39
GRM5 P41594 1/20 0.38
MAOA P21397 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TOP2A P11388 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
GRM4 Q14833 1/20 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
SCHEMBL13699261 0.84 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL270008 0.80
2-Pyridinecarboxaldehyde SCHEMBL27465297 0.78 MEN1 (0.48) NPC1RAB9AMEN1KMT2AATM
SCHEMBL18228880 0.76 MEN1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL5664412 0.75 KDM4E (0.41) NPC1RAB9AMEN1KMT2AATM
SCHEMBL96245 0.75 MEN1 (0.54) NPC1RAB9AMEN1KMT2AATM
SCHEMBL2643842 0.73 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL498505 0.72 NPC1 (0.50) NPC1RAB9AMEN1KMT2AATM
SCHEMBL4380612 0.72 NPC1 (0.56) NPC1RAB9AMEN1KMT2AATM
SCHEMBL5665933 0.72 KDM4E (0.39) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107027309-B Antibacterial agent 昆士兰大学 2021-10-01 CN disclosed
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 US disclosed
EP-3105244-A1 ANTIBACTERIAL AGENTS The University Of Queensland (AU) 2016-12-21 EP disclosed
WO-2015117196-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2015-08-13 WO disclosed
EP-0807098-B1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES DU PONT (US) 1998-09-09 EP disclosed
US-5741955-A TRANSITION METAL COMPLEX CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-21 US disclosed
EP-0807098-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-19 EP disclosed
WO-1996023753-A1 IMPROVED PROCESS FOR REDUCTIVE HYDROLYSIS OF NITRILES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-08-08 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-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS NPC1 1791/4885RAB9A 2995/4885MEN1 3291/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS NPC1 1791/4885RAB9A 2995/4885MEN1 3291/4885

“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.