SCHEMBL1973252

SCHEMBL1973252

CCc1cc2c(Cl)nc(OCCOC(C)=O)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.42
ALDH1A1 P00352 7/20 0.37
TMIGD3 P0DMS9 3/20 0.37
ADORA1 P30542 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL13460019 0.94 SELE (0.45) SELEVCAM1L3MBTL1HTTALDH1A1
SCHEMBL27816608 0.84 SELE (0.48) SELEVCAM1HTTALDH1A1TMIGD3
SCHEMBL1968347 0.82 SELE (0.41) SELEVCAM1L3MBTL1HTTALDH1A1
SCHEMBL1971551 0.75 ALDH1A1 (0.52) L3MBTL1ALDH1A1TMIGD3ADORA1KDM4E
SCHEMBL1967756 0.75 SELE (0.47) SELEVCAM1L3MBTL1ALDH1A1TMIGD3
SCHEMBL20589711 0.72 SELE (0.36) SELEVCAM1L3MBTL1ALDH1A1TMIGD3
SCHEMBL7098332 0.70 ALDH1A1 (0.50) SELEVCAM1L3MBTL1HTTALDH1A1
SCHEMBL31044813 0.69 SELE (0.58) SELEVCAM1L3MBTL1HTTALDH1A1
SCHEMBL7102424 0.68 ALDH1A1 (0.47) SELEVCAM1L3MBTL1HTTALDH1A1
SCHEMBL6708399 0.68 SELE (0.41) SELEVCAM1HTTALDH1A1TMIGD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102149718-A Fused heterocyclic compound LG LIFE SCIENCES LTD (KR) 2011-08-10 CN 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
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 SELE 901/4885VCAM1 79/4885L3MBTL1 4872/4885

“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.