SCHEMBL1970640

SCHEMBL1970640

CCc1cc2c(=O)[nH]c(C(=O)OC)nc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
TMIGD3 P0DMS9 5/20 0.57
ADORA1 P30542 4/20 0.57
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.55
HPGD P15428 2/20 0.52
NPC1 O15118 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
AGTR1 P30556 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
BRD4 O60885 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8200644 0.88 ALDH1A1 (0.57) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL13343603 0.85 TMIGD3 (0.61) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL11499002 0.84 ALDH1A1 (0.52) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL8189842 0.81 TMIGD3 (0.60) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL8203016 0.80 ALDH1A1 (0.55) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL1967325 0.79 KDM4E (0.55) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL11499215 0.77 ALDH1A1 (0.53) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL11498504 0.76 ALDH1A1 (0.52) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL11480471 0.75 ALDH1A1 (0.71) ALDH1A1TMIGD3ADORA1KDM4ESMN1; SMN2
SCHEMBL8188233 0.75 ALDH1A1 (0.51) ALDH1A1TMIGD3ADORA1KDM4ESMN1; 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 11 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
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 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 (3 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ALDH1A1 153/4885TMIGD3 2094/4885ADORA1 563/4885
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 ALDH1A1 279/4885TMIGD3 2869/4885ADORA1 715/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM ALDH1A1 153/4885TMIGD3 2094/4885ADORA1 563/4885

“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.