SCHEMBL5115003

SCHEMBL5115003

CCOc1cc(Cc2ccccn2)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
KDM4E B2RXH2 4/20 0.48
GAA P10253 3/20 0.48
TSHR P16473 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 5/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6667314 0.87 CALM1 (0.54) L3MBTL1KMT2AALDH1A1KDM4EGAA
SCHEMBL5109870 0.84 L3MBTL1 (0.48) L3MBTL1KMT2AALDH1A1MAPTKDM4E
SCHEMBL6222196 0.80 IDH1 (0.56) L3MBTL1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5120261 0.79 L3MBTL1 (0.40) L3MBTL1KMT2AALDH1A1KDM4ETSHR
SCHEMBL5113594 0.76 KDM4E (0.49) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL5113586 0.76 KDM4E (0.49) KMT2AALDH1A1KDM4EGAAMEN1
SCHEMBL28306283 0.76 ALOX15 (0.64) L3MBTL1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5106896 0.76 ALDH1A1 (0.43) L3MBTL1KMT2AALDH1A1MAPTKDM4E
SCHEMBL10762625 0.74 TRPA1 (0.57) L3MBTL1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5121431 0.74 ALDH1A1 (0.44) L3MBTL1KMT2AALDH1A1KDM4ETSHR

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 2 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

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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 L3MBTL1 2694/4885KMT2A 2478/4885ALDH1A1 1527/4885

“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.