SCHEMBL1355824

SCHEMBL1355824

CNc1c[c]ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.40
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL6218545 0.83 APP (0.40) APPCA12CA1CA2CA4
SCHEMBL28015019 0.79 PDE4B (0.38) ALDH1A1MAPTGAAL3MBTL1MAPK1
SCHEMBL29001789 0.77 KMT2A (0.30) L3MBTL1KMT2A
SCHEMBL16719713 0.77 HTT (0.38) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL28176316 0.77 GAA (0.49) ALDH1A1GAANPC1RAB9AHTT
SCHEMBL2207934 0.76 PTGS1 (0.43) ALDH1A1MAPTMAPK1HPGDMEN1
SCHEMBL1355596 0.76 ALDH1A1 (0.45) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL8829998 0.76 MAPT (0.47) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL8674 0.75 CA2 (0.46) ALDH1A1MAPTCA12CA1CA2
SCHEMBL1451106 0.75 KDM4E (0.31) ALDH1A1MAPTL3MBTL1HPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US claimed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 US claimed
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US disclosed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US disclosed
US-7402589-B2 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-07-22 US disclosed
CN-1946700-A Trisubstituted ureas as cytokine inhibitors PROCTER & GAMBLE (US) 2007-04-11 CN disclosed
EP-1737830-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS The Procter and Gamble Company (US) 2007-01-03 EP disclosed
WO-2005105757-A1 TRI-SUBSTITUTED UREAS AS CYTOKINE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2005-11-10 WO disclosed
US-20050245555-A1 Tri-substituted ureas as cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-11-03 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 (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-20050245555-A1 Tri-substituted ureas as cytokine inhibitors IL1B, IL1A, IL6 APP 1584/4885ALDH1A1 455/4885MAPT 843/4885
US-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 APP 4516/4885ALDH1A1 4063/4885MAPT 733/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 APP 4516/4885ALDH1A1 4063/4885MAPT 733/4885

“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.