SCHEMBL1969459

SCHEMBL1969459

C=CCOc1nc2sc(CC)cc2c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
TMIGD3 P0DMS9 5/20 0.53
ADORA1 P30542 4/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 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
HPGD P15428 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
PKM P14618 1/20 0.41
BRD4 O60885 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 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
SCHEMBL1973000 0.82 ALDH1A1 (0.56) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL13459971 0.79 ALDH1A1 (0.53) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL1968642 0.78 ALDH1A1 (0.52) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL1971551 0.78 ALDH1A1 (0.52) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL1971997 0.74 TMIGD3 (0.62) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL8189842 0.72 TMIGD3 (0.60) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL8203016 0.71 ALDH1A1 (0.55) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL1970640 0.70 ALDH1A1 (0.61) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL8200644 0.69 ALDH1A1 (0.57) ALDH1A1TMIGD3ADORA1SMN1; SMN2RAB9A
SCHEMBL12560648 0.68 HCAR2 (0.77)

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 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.