SCHEMBL4555801

SCHEMBL4555801

O=[N+]([O-])c1cnccc1N1CCC2(CC1)OCCO2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 9/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 8/20 0.49
HTT P42858 3/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.37
TNNI3 P19429 1/20 0.37
TNNT2 P45379 1/20 0.37
TNNC1 P63316 1/20 0.37

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
SCHEMBL16702826 0.82 GSK3B (0.50) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL30050306 0.82 MAPT (0.69) SMN1; SMN2GAAALDH1A1KMT2AMAPT
SCHEMBL19417846 0.82 MAPT (0.69) SMN1; SMN2GAAALDH1A1KMT2AMAPT
SCHEMBL20189765 0.82 MAPT (0.49) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL6074155 0.81 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL29948580 0.81 SMN1; SMN2 (0.57) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL9425659 0.80 MAPT (0.67) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL1710516 0.79 MAPT (0.65) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL16702811 0.77 LATS1 (0.49) SMN1; SMN2GAAALDH1A1MAPTHTT
SCHEMBL4555529 0.76 LGMN (0.50) SMN1; SMN2ALDH1A1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US disclosed
US-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2014-09-04 US 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-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
US-8822497-B2 PIM kinase inhibitors and methods of their use NOVARTIS AG (CH) 2014-09-02 US disclosed
EP-2132177-B1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2013-07-17 EP disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US disclosed
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS AG (CH) 2012-08-16 US 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 (2 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-20140249135-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SMN1; SMN2 2557/4885GAA 1434/4885ALDH1A1 2176/4885
US-20120208815-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE PIM1, PIM2, PIM3 SMN1; SMN2 2557/4885GAA 1434/4885ALDH1A1 2176/4885

“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.