SCHEMBL1969591

SCHEMBL1969591

CCCc1nc(C(=O)OCC)c(NC(=O)Oc2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NPC1 O15118 3/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.42
MIF P14174 1/20 0.42
ILK Q13418 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL1968361 0.91 ALDH1A1 (0.47) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL27191915 0.83 TRPM8 (0.52) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL1971989 0.78 MAPK1 (0.50) ALDH1A1MAPTHSD17B10HPGDRAB9A
SCHEMBL30216371 0.77 ILK (0.66) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL5345562 0.72 GLS (0.67) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL2828742 0.72 ALDH1A1 (0.48) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL28892555 0.72 POLB (0.51) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL12894813 0.72 ALDH1A1 (0.80) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL4955898 0.72 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL10760954 0.71 MAPT (0.60) ALDH1A1MAPTMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 ALDH1A1 279/4885MAPT 4280/4885MEN1 849/4885

“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.