SCHEMBL4933527

SCHEMBL4933527

NCc1ccnc(OCc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 9/20 0.54
▸ LOX P28300 4/20 0.53
▸ CHRNA7 P36544 1/20 0.45
▸ HTR1A P08908 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ F9 P00740 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ CYP2A6 P11509 2/20 0.42
▸ IKBKB O14920 1/20 0.41
▸ LOXL3 P58215 1/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL4927819 0.84 LOXL2 (0.66) LOXL2LOXLOXL3
SCHEMBL30931622 0.84 LOXL2 (0.66) LOXL2LOXLOXL3
SCHEMBL4935257 0.82 LOXL2 (0.61) LOXL2LOXLOXL3
SCHEMBL8278889 0.80 CYP2A6 (0.47) HTR1ADRD2CYP2A6IKBKBMEN1
SCHEMBL31240666 0.80 HSD17B10 (0.46) HTR1ADRD2IKBKBMEN1KMT2A
SCHEMBL23316746 0.78 LOXL2 (0.59) LOXL2LOX
SCHEMBL30931656 0.78 MAOB (0.61) LOXL2LOXLOXL3
SCHEMBL4927760 0.78 MAOB (0.61) LOXL2LOX
SCHEMBL30931616 0.78 LOXL2 (0.59) LOXL2LOX
SCHEMBL30931617 0.78 MAOB (0.61) LOXL2LOX

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-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

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 LOXL2 2869/4885LOX 2210/4885CHRNA7 2525/4885
US-20080027050-A1 Heterocyclic Amide Compound and Use Thereof as an Mmp-13 Inhibitor(Amended Ex Officio) MMP13, HDAC11, HDAC1 LOXL2 3474/4885LOX 1715/4885CHRNA7 3024/4885

“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.

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