SCHEMBL847502

SCHEMBL847502

CC(=O)c1ccc(Cl)cc1Nc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.54
AKR1C3 P42330 7/20 0.51
AKR1C2 P52895 7/20 0.51
CXCR2 P25025 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
MAPT P10636 1/20 0.49
GFER P55789 1/20 0.49
NGLY1 Q96IV0 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
PABPC1 P11940 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C1 Q04828 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL846925 0.87 AKR1C3 (0.59) AKR1C3AKR1C2TMPRSS4MAPTGFER
SCHEMBL9515604 0.87 GRIK1 (0.69) GRIK1AKR1C3AKR1C2MAPTGFER
SCHEMBL10935634 0.86 GRIK1 (0.54) GRIK1AKR1C3AKR1C2MAPTMEN1
SCHEMBL7403837 0.84 MAPT (0.67) GRIK1AKR1C3AKR1C2CXCR2MAPT
SCHEMBL28181761 0.84 SIRT2 (0.54) GRIK1CXCR2MAPTGFERNGLY1
SCHEMBL13195999 0.84 GRIK1 (0.47) GRIK1AKR1C3AKR1C2CXCR2MAPT
SCHEMBL12983141 0.83 MEN1 (0.55) GRIK1AKR1C3AKR1C2CXCR2MAPT
SCHEMBL10935988 0.82 AKR1C3 (0.67) GRIK1AKR1C3AKR1C2MAPTGFER
SCHEMBL11555198 0.81 AKR1C3 (0.49) GRIK1AKR1C3AKR1C2CXCR2TMPRSS4
SCHEMBL7844253 0.81 AKR1C3 (0.51) AKR1C3AKR1C2MAPTGFERNGLY1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694480-B1 ADAMANTYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
EP-2694480-A1 ADAMANTYL COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-02-12 EP disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8471027-B2 Adamantyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
US-20120258982-A1 ADAMANTYL COMPOUNDS CHEUNG ADRIAN WAI-HING (US) 2012-10-11 US disclosed
WO-2012136684-A1 ADAMANTYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-10-11 WO disclosed
US-8163906-B2 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO, LLC (US) 2012-04-24 US disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-B1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
EP-2148862-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. Hoffmann-Roche AG (CH) 2010-02-03 EP disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
WO-2008138920-A1 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2008-11-20 WO disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 US disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 US disclosed
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK ROCHE PALO ALTO LLC 2008-11-20 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 (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-20120258982-A1 ADAMANTYL COMPOUNDS MAP3K1, MAP3K6, MAPKAPK2 GRIK1 695/4885AKR1C3 1299/4885AKR1C2 964/4885
US-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 GRIK1 1748/4885AKR1C3 1069/4885AKR1C2 1207/4885

“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.