SCHEMBL1968347

SCHEMBL1968347

CCc1cc2c(Cl)nc(OCC(COC(C)=O)OC(C)=O)nc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELE P16581 1/20 0.41
VCAM1 P19320 1/20 0.41
AR P10275 1/20 0.38
ALDH1A1 P00352 6/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TMIGD3 P0DMS9 2/20 0.33
ADORA1 P30542 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1973252 0.82 SELE (0.46) SELEVCAM1ALDH1A1HPGDKDM4E
SCHEMBL13460019 0.81 SELE (0.45) SELEVCAM1ALDH1A1HPGDKDM4E
SCHEMBL1967309 0.78 ALDH1A1 (0.47) ARALDH1A1HPGDKDM4ETMIGD3
SCHEMBL27816608 0.78 SELE (0.48) SELEVCAM1ALDH1A1HPGDKDM4E
SCHEMBL1967756 0.77 SELE (0.47) SELEVCAM1ALDH1A1HPGDKDM4E
SCHEMBL1967879 0.76 P2RY12 (0.38) MEN1KMT2A
SCHEMBL1966300 0.74 HTR6 (0.35) KDM4ETMIGD3MEN1HTTRAB9A
SCHEMBL1971404 0.73 P2RY12 (0.60) KDM4ETMIGD3MEN1KMT2ARAB9A
SCHEMBL1968741 0.73 P2RY12 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL1968947 0.73 HTR6 (0.36) ALDH1A1KDM4ETMIGD3MEN1CYP1A2

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
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

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 79/4885AR 3936/4885

“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.