SCHEMBL4935994

SCHEMBL4935994

N#Cc1c(OCCc2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
RECQL P46063 2/20 0.51
CYP11B1 P15538 6/20 0.49
CYP11B2 P19099 6/20 0.49
KDM4E B2RXH2 1/20 0.48
PIN1 Q13526 2/20 0.46
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.45
SGMS2 Q8NHU3 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CYP19A1 P11511 6/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2411327 0.86 SGMS2 (0.56) NPC1RAB9ARECQLKDM4EPIN1
SCHEMBL11444983 0.85 NPC1 (0.56) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL11292192 0.83 NPC1 (0.74) NPC1RAB9ARECQLCYP11B1CYP11B2
SCHEMBL620542 0.83 LMNA (0.48) NPC1RAB9ARECQLCYP11B1CYP11B2
SCHEMBL620111 0.82 NPC1 (0.51) NPC1RAB9ARECQLKDM4EHTR1A
SCHEMBL11455550 0.82 RAB9A (0.51) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL2418012 0.81 RAB9A (0.50) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL2419186 0.81 NPC1 (0.50) NPC1RAB9ARECQLKDM4EPOLB
SCHEMBL2416705 0.80 NPC1 (0.49) NPC1RAB9ARECQLKDM4EKMT2A
SCHEMBL2416942 0.80 NPC1 (0.49) NPC1RAB9ARECQLKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 US disclosed
EP-1740551-B9 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2013-01-16 EP disclosed
EP-1740551-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL (JP) 2012-09-12 EP disclosed
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-31 US disclosed
EP-1740551-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 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-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 NPC1 1537/4885RAB9A 3701/4885RECQL 3455/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 NPC1 2367/4885RAB9A 3103/4885RECQL 4077/4885

“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.