SCHEMBL5113183

SCHEMBL5113183

CCOC(=O)CCc1cn(-c2ccccc2)nc1O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL5403139 0.81 CYP4F2 (0.48) NPC1RAB9ACYP4F2CYP4A11MEN1
SCHEMBL5380579 0.80 CYP4F2 (0.49) CYP4F2CYP4A11MEN1KMT2AMAPK1
SCHEMBL5120016 0.79 CYP4F2 (0.49) CYP4F2CYP4A11MEN1KMT2ALMNA
SCHEMBL23401521 0.79 KDM4E (0.47) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL23403486 0.79 KDM4E (0.50) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL6158851 0.77 CYP4F2 (0.46) CYP4F2CYP4A11MEN1KMT2AMAPK1
SCHEMBL23399935 0.76 KDM4E (0.45) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4852309 0.76 RAB9A (0.44) NPC1RAB9AMEN1KMT2ANPSR1
SCHEMBL4854443 0.76 NPC1 (0.67) NPC1RAB9ANPSR1MAPK1LMNA
SCHEMBL5415068 0.76 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
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 (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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 NPC1 933/4885RAB9A 1995/4885CYP4F2 1465/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 NPC1 2819/4885RAB9A 3734/4885CYP4F2 1398/4885

“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.