SCHEMBL2779258

SCHEMBL2779258

O=C(c1ccccc1)c1c(C(=O)N2CCC2)sc2c1ccc(=O)n2-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
HPGD P15428 8/20 0.45
HSD17B10 Q99714 4/20 0.45
HTT P42858 3/20 0.45
ALOX15 P16050 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
GLA P06280 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 3/20 0.38
DUSP3 P51452 2/20 0.38
PTPN7 P35236 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL2780301 0.98 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL2782194 0.91 HPGD (0.50) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL2781551 0.90 HPGD (0.46) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL2780524 0.85 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL2780284 0.83 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL3831132 0.82 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL5651062 0.81 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10HTTALOX15
SCHEMBL2781353 0.81 HPGD (0.42) ALDH1A1HPGDHTTMAPTMAPK1
SCHEMBL2781176 0.80 SPHK2 (0.40) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL2780292 0.80 ALDH1A1 (0.44) ALDH1A1HPGDHTTMAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US claimed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 US claimed
US-7795256-B2 Thieno-pyridinone derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2010-09-14 US disclosed
US-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors CELLTECH R&D LIMITED (GB) 2007-04-05 US 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-20070078131-A1 Thieno-pyridinone derivatives as kinase inhibitors MAP3K6, MAP4K2, MAP3K15 ALDH1A1 2586/4885HPGD 459/4885HSD17B10 2507/4885

“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.