SCHEMBL848421

SCHEMBL848421

COC(=O)c1ccc(CCC(=O)c2ccc(C)nc2Nc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ STAT6 P42226 1/20 0.37
▸ P2RX3 P56373 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL847717 0.87 KMT2A (0.42) NPC1RAB9ASTAT6MEN1KMT2A
SCHEMBL846959 0.85 FFAR1 (0.40) NPC1RAB9ASTAT6KMT2A
SCHEMBL847744 0.85 STAT6 (0.39) STAT6HDAC3HDAC1HDAC2
SCHEMBL846971 0.84 STAT6 (0.38) STAT6HDAC3HDAC1HDAC2MAPK1
SCHEMBL847737 0.82 PDE4B (0.38) STAT6HDAC3HDAC1HDAC2
SCHEMBL849127 0.81 STAT6 (0.37) STAT6HDAC3HDAC1HDAC2
SCHEMBL848924 0.80 CYP1A2 (0.44) —
SCHEMBL12715339 0.76 MAPT (0.54) NPC1HPGDRAB9AMEN1KMT2A
SCHEMBL846972 0.73 MAPT (0.36) NPC1HPGDRAB9ASTAT6MEN1
SCHEMBL14617173 0.73 GAA (0.46) NPC1HPGDRAB9AMEN1KMT2A

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 FAAH 4261/4885NPC1 1726/4885HPGD 2514/4885

“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.

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