SCHEMBL1973000

SCHEMBL1973000

CCc1cc2c(=O)[nH]c(OCCO)nc2s1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
TMIGD3 P0DMS9 5/20 0.54
ADORA1 P30542 4/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
AGTR1 P30556 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
BRD4 O60885 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39

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
SCHEMBL13459971 0.84 ALDH1A1 (0.53) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL1968642 0.83 ALDH1A1 (0.52) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL1969459 0.82 ALDH1A1 (0.56) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL1971997 0.74 TMIGD3 (0.62) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL1970640 0.73 ALDH1A1 (0.61) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL8189842 0.72 TMIGD3 (0.60) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL8200644 0.72 ALDH1A1 (0.57) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL8203016 0.71 ALDH1A1 (0.55) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2
SCHEMBL12562202 0.68 HCAR2 (0.78) HCAR2
SCHEMBL20665785 0.68 ALDH1A1 (1.00) ALDH1A1TMIGD3ADORA1HPGDSMN1; SMN2

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 279/4885TMIGD3 2869/4885ADORA1 715/4885

“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.