SCHEMBL1968562

SCHEMBL1968562

CCOC(=O)c1nc(CC)sc1NC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 2/20 0.43
POLB P06746 1/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL1971989 0.89 MAPK1 (0.50) MAPK1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL1194098 0.85 MAPK1 (0.55) MAPK1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL31750486 0.84 MAPK1 (0.54) MAPK1ALDH1A1CYP1A2TSHRPOLB
SCHEMBL22658875 0.84 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRPOLBGAA
SCHEMBL1968361 0.77 ALDH1A1 (0.47) MAPK1ALDH1A1CYP1A2POLBGAA
SCHEMBL1973691 0.77 ALDH1A1 (0.55) MAPK1ALDH1A1CYP1A2GAAHPGD
SCHEMBL6505364 0.77 GAA (0.55) ALDH1A1CYP1A2TSHRPOLBGAA
SCHEMBL1192461 0.77 TRPM8 (0.55) MAPK1ALDH1A1CYP1A2GAAHPGD
SCHEMBL4955898 0.76 ALDH1A1 (0.61) ALDH1A1POLBHPGDMAPTSMN1; SMN2
SCHEMBL4968092 0.74 ALDH1A1 (0.47) MAPK1ALDH1A1CYP1A2TSHRGAA

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 MAPK1 1813/4885ALDH1A1 279/4885CYP1A2 269/4885

“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.