SCHEMBL406906

SCHEMBL406906

O=C(O)[C@H]1CC[C@H](c2nnc(-c3ccccc3)o2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
TNKS O95271 6/20 0.52
PARP2 Q9UGN5 2/20 0.52
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.50
HDAC3 O15379 1/20 0.50
CYP2C9 P11712 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALOX15B O15296 1/20 0.48
PARP1 P09874 1/20 0.47

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
SCHEMBL440037 1.00 NPC1 (0.53) NPC1RAB9ACA1CA2TNKS
SCHEMBL408850 0.92 AKR1C3 (0.53) NPC1RAB9ACA1CA2TNKS
SCHEMBL29988207 0.87 ALDH1A1 (0.66) RAB9ACA1CA2TNKSPARP2
SCHEMBL441020 0.87 ALDH1A1 (0.68) NPC1RAB9ACA1CA2TNKS
SCHEMBL407361 0.87 ALDH1A1 (0.68) NPC1RAB9ACA1CA2TNKS
SCHEMBL408245 0.85 TNKS (0.50) NPC1RAB9ACA1CA2TNKS
SCHEMBL437121 0.85 TNKS (0.50) NPC1RAB9ACA1CA2TNKS
SCHEMBL440355 0.82 TNKS (0.51) NPC1RAB9ATNKSPARP2KDM4E
SCHEMBL408300 0.82 TNKS (0.51) NPC1RAB9ATNKSPARP2KDM4E
SCHEMBL9407927 0.82 NPC1 (0.50) NPC1RAB9ACA1CA2TNKS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505749-B2 Quinazolinone compounds and derivatives thereof AMGEN INC. (US) 2016-11-29 US disclosed
US-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof AMGEN INC. 2015-08-13 US disclosed
EP-2890696-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN, INC. (US) 2015-07-08 EP disclosed
WO-2014036022-A1 QUINAZOLINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2014-03-06 WO disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US 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-20150225396-A1 Quinazolinone Compounds and Derivatives Thereof TNKS, TPI1, TNKS1BP1 NPC1 3907/4885RAB9A 2806/4885CA1 3806/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NPC1 142/4885RAB9A 1525/4885CA1 4037/4885

“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.