SCHEMBL1967756

SCHEMBL1967756

CCc1cc2c(Cl)nc(OCC(O)CO)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
ALDH1A1 P00352 6/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
KDM4E B2RXH2 3/20 0.36
TSHR P16473 1/20 0.36
TMIGD3 P0DMS9 2/20 0.35
ADORA1 P30542 2/20 0.35
HPGD P15428 1/20 0.33
P2RY12 Q9H244 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
AGTR1 P30556 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1968347 0.77 SELE (0.41) SELEVCAM1ALDH1A1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5268207 0.77 P2RY12 (0.45) ALDH1A1KDM4ETSHRTMIGD3P2RY12
SCHEMBL1973252 0.75 SELE (0.46) SELEVCAM1ALDH1A1CYP1A2CYP2C9
SCHEMBL1968642 0.74 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9KDM4ETMIGD3
SCHEMBL13460019 0.74 SELE (0.45) SELEVCAM1ALDH1A1CYP1A2CYP2C9
SCHEMBL1966907 0.72 P2RY12 (0.41) ALDH1A1KDM4ETSHRP2RY12SMN1; SMN2
SCHEMBL1968293 0.72 P2RY12 (0.50) ALDH1A1KDM4ETSHRP2RY12SMN1; SMN2
SCHEMBL1967925 0.72 P2RY12 (0.43) ALDH1A1KDM4ETSHRP2RY12SMN1; SMN2
SCHEMBL5268191 0.71 P2RY12 (0.63) P2RY12MEN1HTR6
SCHEMBL1970286 0.71 SELE (0.60) SELEVCAM1ALDH1A1CYP1A2CYP2C9

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 SELE 901/4885VCAM1 79/4885ALDH1A1 279/4885

“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.