SCHEMBL4935728

SCHEMBL4935728

N#Cc1cccc(OCC2CCOC2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 3/20 0.46
EGLN2 Q96KS0 1/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
XDH P47989 1/20 0.44
MCHR1 Q99705 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
TRIM24 O15164 1/20 0.43
VNN1 O95497 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD4 P21917 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL1848360 0.84 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL18617936 0.83 CYP3A4 (0.49) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL31173165 0.80 MCHR1 (0.45) XDHMCHR1ALDH1A1TP53CYP3A4
SCHEMBL22290362 0.80 MCHR1 (0.45) XDHMCHR1ALDH1A1TP53CYP3A4
SCHEMBL8277631 0.80 KDM4E (0.46) XDHMCHR1ALDH1A1TP53CYP3A4
SCHEMBL28323610 0.78 NR1H4 (0.58) XDHCYP3A4
SCHEMBL3251306 0.78 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL7387114 0.78 ALDH1A1 (0.72) SLC6A2SLC6A4SLC6A3ALDH1A1TP53
SCHEMBL8191126 0.78 ALDH1A1 (0.72) SLC6A2SLC6A4SLC6A3ALDH1A1TP53
SCHEMBL4933694 0.78 MCHR1 (0.46) XDHMCHR1ALDH1A1TP53CYP3A4

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 SLC6A2 2785/4885SLC6A4 1212/4885SLC6A3 1757/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 SLC6A2 2611/4885SLC6A4 1643/4885SLC6A3 1499/4885

“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.