SCHEMBL3605801

SCHEMBL3605801

[NH]C(=O)c1cccc2c1-c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
KEAP1 Q14145 4/20 0.48
NFE2L2 Q16236 1/20 0.48
HNF4A P41235 1/20 0.42
NPC1 O15118 2/20 0.42
MYC P01106 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
MAPK10 P53779 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5729760 0.86 ALDH1A1 (0.70) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL20695793 0.82 MAPT (0.53) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL3616574 0.80 ALDH1A1 (0.74) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL31278212 0.80 ALDH1A1 (0.74) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL3616572 0.80 MAPT (0.52) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL2402121 0.78 ALDH1A1 (0.50) MAPTALDH1A1LMNAKEAP1NFE2L2
Hydrochloric Acid SCHEMBL2402126 0.78 ALDH1A1 (0.71) MAPTALDH1A1LMNAKEAP1NFE2L2
Hydrochloric Acid SCHEMBL15366836 0.78 ALDH1A1 (0.71) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL3605803 0.78 KEAP1 (0.75) MAPTALDH1A1LMNAKEAP1NFE2L2
SCHEMBL11287582 0.78 ALDH1A1 (0.70) MAPTALDH1A1LMNAKEAP1NFE2L2

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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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 (2 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 MAPT 156/4885ALDH1A1 2810/4885LMNA 878/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 MAPT 680/4885ALDH1A1 445/4885LMNA 2035/4885

“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.