SCHEMBL688676

SCHEMBL688676

O=C(O)CCc1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
FFAR1 O14842 8/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 1/20 0.34
HDAC4 P56524 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL7969401 0.85 AKR1B1 (0.36) EGLN3GAAALDH1A1MAPTPOLB
SCHEMBL7980823 0.83 TDP1 (0.34) ALDH1A1TDP1SMN1; SMN2
SCHEMBL689021 0.83 LMNA (0.44) ALDH1A1MAPTPOLBHSD17B10SMN1; SMN2
SCHEMBL690067 0.81 MEN1 (0.36) GAAALDH1A1MAPTHSD17B10
SCHEMBL28988475 0.80 TAAR1 (0.34) SMN1; SMN2
SCHEMBL27469137 0.80 TDP1 (0.34) TDP1
SCHEMBL7980838 0.80 HDAC3 (0.33) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL689517 0.80 CYP11B1 (0.36)
SCHEMBL27405017 0.79 POLB (0.36) NPC1RAB9AALDH1A1MAPTPOLB
SCHEMBL21293520 0.77 PGK1 (0.37) 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 KEAP1 2584/4885FFAR1 4360/4885NPC1 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.