SCHEMBL688562

SCHEMBL688562

N#Cc1ccnc(OCCSc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
LMNA P02545 1/20 0.33
MGLL Q99685 1/20 0.33
KIF11 P52732 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
MAPK1 P28482 2/20 0.30
TP53 P04637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HPGD P15428 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
SCHEMBL689223 0.82 LOXL2 (0.43) NPC1RAB9ALMNAKIF11ALOX15
SCHEMBL688397 0.81 MGLL (0.34) MGLLKIF11
SCHEMBL689731 0.80 LMNA (0.44) NPC1RAB9ALMNAKIF11MAPT
SCHEMBL12750161 0.79 HSD17B10 (0.38) NPC1RAB9AMAPTKDM4EUSP2
SCHEMBL689235 0.79 LMNA (0.44) NPC1RAB9ALMNAKIF11MAPT
SCHEMBL688909 0.71 RAB9A (0.33) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL9340370 0.68 HPGD (0.38) NPC1RAB9AMAPTALDH1A1ALOX15
SCHEMBL8446049 0.68 HPGD (0.38) NPC1RAB9ALMNAMAPTUSP2
SCHEMBL689120 0.67 TBXAS1 (0.46) NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL688978 0.66 TBXAS1 (0.46) SMN1; SMN2

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 NPC1 3406/4885RAB9A 2014/4885LMNA 3074/4885

“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.