SCHEMBL846912

SCHEMBL846912

COc1ccc(C=CC(=O)c2ccc(C)nc2Nc2ccccc2)cn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ LMNA P02545 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PADI4 Q9UM07 1/20 0.41
▸ ABCG2 Q9UNQ0 9/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ABCB1 P08183 5/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ APP P05067 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP1A1 P04798 1/20 0.39
▸ CYP1B1 Q16678 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL847911 0.85 HDAC3 (0.38) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL846911 0.80 MAOA (0.47) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL847717 0.78 KMT2A (0.42) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL363641 0.73 CXCL12 (0.59) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL365186 0.73 ABCG2 (0.51) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL28555728 0.72 GSK3B (0.53) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL12715339 0.72 MAPT (0.54) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL363188 0.70 MAOB (0.60) ABCG2MAOAMAOBMEN1KMT2A
SCHEMBL364142 0.70 LMNA (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL28609817 0.70 GSK3B (0.60) NPC1RAB9ALMNAMAPTSMN1; SMN2

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 3 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
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 NPC1 1726/4885RAB9A 669/4885LMNA 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.

Send feedback