SCHEMBL848495

SCHEMBL848495

COc1ccc(Nc2ccccc2)c(C(C)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.67
AKR1C2 P52895 14/20 0.67
LMNA P02545 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HPGD P15428 2/20 0.63
GFER P55789 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 3/20 0.62
POLB P06746 1/20 0.62
GAA P10253 1/20 0.60
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51

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
SCHEMBL10652538 0.89 AKR1C3 (0.78) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL846875 0.88 AKR1C3 (0.81) AKR1C3AKR1C2GAA
SCHEMBL10934839 0.87 MEN1 (0.60) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL10937794 0.86 SIRT2 (0.61) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL7844457 0.84 AKR1C3 (0.66) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL9594696 0.82 AKR1C3 (0.81) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL10935935 0.81 MEN1 (0.60) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL9593627 0.81 MEN1 (0.83) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL16742044 0.81 MEN1 (0.73) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL22650202 0.81 MEN1 (0.73) AKR1C3AKR1C2LMNAMEN1KMT2A

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-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-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-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

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-20080287458-A1 Dihydroquinone and dihydronaphthridine inhibitors of JNK MAPK9, MAPK10, MAPK1 AKR1C3 1069/4885AKR1C2 1207/4885LMNA 3935/4885

“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.