SCHEMBL689223

SCHEMBL689223

NCc1ccnc(OCCSc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 16/20 0.43
LOX P28300 10/20 0.42
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
KIF11 P52732 1/20 0.32
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL688562 0.82 NPC1 (0.33) NPC1RAB9ALMNAKIF11HPGD
SCHEMBL688303 0.81 LOXL2 (0.44) LOXL2LOX
SCHEMBL687708 0.79 LMNA (0.45) LOXL2NPC1RAB9ALMNAKIF11
SCHEMBL12750164 0.79 LOXL2 (0.47) LOXL2LOXNPC1RAB9AHPGD
SCHEMBL687174 0.78 LMNA (0.45) LOXL2NPC1RAB9ALMNAKIF11
SCHEMBL689306 0.70 LOXL2 (0.47) LOXL2LOXNPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL689076 0.69 LOXL2 (0.46) LOXL2LOXNPC1RAB9ALMNA
SCHEMBL9340370 0.69 HPGD (0.38) NPC1RAB9AHPGDALOX15TSHR
SCHEMBL8446049 0.69 HPGD (0.38) NPC1RAB9ALMNAHPGDALOX15
SCHEMBL689324 0.66 LOXL2 (0.36) LOXL2LOXNPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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 (1 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 LOXL2 1011/4885LOX 431/4885NPC1 3406/4885

“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.