SCHEMBL2283285

SCHEMBL2283285

[NH]N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.59
LMNA P02545 1/20 0.56
PTPRC P08575 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 2/20 0.53
MCL1 Q07820 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA2 P00918 5/20 0.51
CA9 Q16790 5/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
APEX1 P27695 1/20 0.51

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
SCHEMBL3283681 0.81 KMT2A (0.60) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL516272 0.81 LMNA (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL28322162 0.81 S100A4 (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL30708932 0.81 LMNA (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL9503453 0.81 S100A4 (0.58) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL11053825 0.79 S100A4 (0.56) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL9806781 0.78 LMNA (0.81) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL7079743 0.78 S100A4 (0.54) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL14447506 0.77 LMNA (0.55) S100A4LMNAPTPRCKDM4EMAPT
SCHEMBL4375792 0.77 CA1 (0.59) S100A4LMNAPTPRCKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150329538-A1 AMIDES AS PIM INHIBITORS AMGEN INC. (US) 2015-11-19 US disclosed
US-9187486-B2 Bicyclic pyridazine compounds as Pim inhibitors AMGEN INC. (US) 2015-11-17 US disclosed
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors AMGEN INC. 2014-08-07 US disclosed
US-20140187553-A1 Azole Compounds as PIM Inhibitors AMGEM INC. (US) 2014-07-03 US disclosed
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2014-06-19 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 US disclosed
US-8426358-B2 Methods for treating atherosclerosis AMGEN INC. (US) 2013-04-23 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS AMGEN INC. (US) 2011-08-25 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 (8 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-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 S100A4 467/4885LMNA 710/4885PTPRC 2519/4885
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A S100A4 4876/4885LMNA 3945/4885PTPRC 1565/4885
US-20140187553-A1 Azole Compounds as PIM Inhibitors PIM1, PIM3, PIM2 S100A4 2705/4885LMNA 2845/4885PTPRC 214/4885
US-20150329538-A1 AMIDES AS PIM INHIBITORS PIM1, PIM3, PIM2 S100A4 2933/4885LMNA 2964/4885PTPRC 958/4885
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 S100A4 3841/4885LMNA 2103/4885PTPRC 629/4885
US-20140171639-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS TRPM8, TRPM7, TRPM5 S100A4 509/4885LMNA 1221/4885PTPRC 3613/4885
US-20140221344-A1 Bicyclic Pyridazine Compounds as PIM Inhibitors PIM1, PIM2, PIM3 S100A4 3744/4885LMNA 1512/4885PTPRC 489/4885
US-20110206652-A1 METHODS FOR TREATING ATHEROSCLEROSIS LCAT, PCSK9, CETP S100A4 2465/4885LMNA 535/4885PTPRC 698/4885

“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.