SCHEMBL5397261

SCHEMBL5397261

COC(=O)Cc1cn(C)nc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGER1 P34995 1/20 0.38

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
SCHEMBL6035212 0.88 PTGDR2 (0.46) ALDH1A1LMNABRD4L3MBTL1PKM
SCHEMBL5405502 0.81 CNR1 (0.44) ALDH1A1LMNABRD4L3MBTL1PKM
SCHEMBL5405433 0.79 FFAR1 (0.56)
SCHEMBL4703265 0.78 ALKBH1 (0.51) ALDH1A1LMNAPKMHPGDADORA3
SCHEMBL5401933 0.75 ATP4A (0.45) BRD4L3MBTL1PKMADORA3ADORA2A
SCHEMBL6218172 0.74 PTPN1 (0.50) ALDH1A1LMNAKDM4EBRD4L3MBTL1
SCHEMBL2988197 0.74 L3MBTL1 (0.56) ALDH1A1LMNAKDM4EBRD4L3MBTL1
SCHEMBL31757763 0.74 L3MBTL1 (0.56) ALDH1A1LMNAKDM4EBRD4L3MBTL1
SCHEMBL5380319 0.73 ALDH1A1 (0.47) ALDH1A1LMNAL3MBTL1PTGDR2MEN1
SCHEMBL4700131 0.73 L3MBTL1 (0.51) ALDH1A1LMNAKDM4EL3MBTL1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 ALDH1A1 134/4885LMNA 1581/4885KDM4E 1421/4885

“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.