SCHEMBL3547211

SCHEMBL3547211

CC(=O)Nc1ccc(N2CCN(C)CC2)cc1CC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
NPC1 O15118 4/20 0.44
MAPK1 P28482 3/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 3/20 0.43
HTR6 P50406 2/20 0.42
EGFR P00533 2/20 0.42
PTK2 Q05397 2/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
PTK2B Q14289 1/20 0.40

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
SCHEMBL3546530 0.83 MAPT (0.43) HDAC3HDAC8NPC1MAPK1LMNA
SCHEMBL3504979 0.80 HDAC3 (0.60) HDAC3HDAC8NPC1MAPK1RAB9A
SCHEMBL3546618 0.80 MAPT (0.55) HDAC3HDAC8NPC1MAPK1LMNA
SCHEMBL3503526 0.75 EGFR (0.61) NPC1MAPK1TP53RAB9AHTR6
SCHEMBL3549535 0.75 SIRT6 (0.62) MAPK1HTR6MAPTALDH1A1L3MBTL1
SCHEMBL21753620 0.73 MAPT (0.61) MAPK1HTR6MAPTKDM4EALDH1A1
SCHEMBL12766942 0.73 HTR6 (0.57) NPC1MAPK1TP53RAB9AHTR6
SCHEMBL3147476 0.72 HTR6 (0.67) NPC1MAPK1RAB9AHTR6EGFR
SCHEMBL3549258 0.72 MEN1 (0.41) HDAC3HDAC8NPC1MAPK1LMNA
SCHEMBL2370707 0.72 NPC1 (0.56) HDAC3HDAC8NPC1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747216-B1 SUBSTITUTED PYRROLE-2, 5-DIONES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2014-01-08 EP disclosed
US-7851475-B2 Substituted pyrrole-2, 5-diones as protein kinase C inhibitors NOVARTIS AG (CH) 2010-12-14 US disclosed
US-20090221605-A1 SUBSTITUTED PYRROLE-2, 5-DIONES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2009-09-03 US disclosed
EP-1747216-A1 SUBSTITUTED PYRROLE-2, 5-DIONES AS PROTEIN KINASE C INHIBITORS Novartis Pharma AG. (CH) 2007-01-31 EP disclosed
WO-2005113545-A1 SUBSTITUTED PYRROLE-2, 5-DIONES AS PROTEIN KINASE C INHIBITORS NOVARTIS AG (CH) 2005-12-01 WO 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-20090221605-A1 SUBSTITUTED PYRROLE-2, 5-DIONES AS PROTEIN KINASE C INHIBITORS PRKCA, PRKCB, PRKCE HDAC3 3351/4885HDAC8 2748/4885NPC1 4659/4885

“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.