SCHEMBL4433893

SCHEMBL4433893

NC(=O)c1ccc(N2CCCCC2)c(N)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.77
GAA P10253 5/20 0.77
HSD17B10 Q99714 4/20 0.77
POLB P06746 3/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
TDP1 Q9NUW8 1/20 0.77
ALDH1A1 P00352 5/20 0.72
NPC1 O15118 4/20 0.68
RAB9A P51151 3/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
PKM P14618 1/20 0.62
HTT P42858 4/20 0.58
S100B P04271 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL3543838 0.87 GAA (0.58) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL29805515 0.87 KDM4E (1.00) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL29978999 0.85 KDM4E (0.74) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL7423568 0.85 KDM4E (0.97) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL3793915 0.85 KDM4E (0.56) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL15777997 0.84 SMN1; SMN2 (0.70) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL30879532 0.84 KDM4E (0.68) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL29216643 0.84 KDM4E (0.68) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL4963219 0.83 ALDH1A1 (0.62) KDM4EGAAHSD17B10POLBL3MBTL1
SCHEMBL28325509 0.83 HTT (0.71) KDM4EGAAHSD17B10POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
CN-101679266-B PIM kinase inhibitors and methods of their use NOVARTIS AG 2015-05-06 CN disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
CN-101679266-A PIM kinase inhibitors and methods of their use NOVARTIS AG 2010-03-24 CN disclosed
EP-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 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 (3 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 KDM4E 4671/4885GAA 154/4885HSD17B10 4453/4885
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885GAA 1434/4885HSD17B10 4209/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 KDM4E 946/4885GAA 1434/4885HSD17B10 4209/4885

“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.