SCHEMBL16239229

SCHEMBL16239229

CC(C)(C)OC(=O)NCc1ccc(Nc2ccc3ccccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
BRD4 O60885 1/20 0.45
NCEH1 Q6PIU2 1/20 0.42
TSHR P16473 1/20 0.41
KDM4A O75164 1/20 0.41
HDAC1 Q13547 2/20 0.41
HSP90AA1 P07900 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TBXA2R P21731 1/20 0.40
PRMT1 Q99873 1/20 0.40
NQO2 P16083 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MAPK1 P28482 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL15090932 0.87 PRMT1 (0.52) BRD4NCEH1TSHRHSP90AA1CRHBP
SCHEMBL29908819 0.87 PRMT1 (0.52) BRD4NCEH1TSHRHSP90AA1CRHBP
SCHEMBL29908796 0.83 NAMPT (0.49) NAMPTBRD4NCEH1KDM4AHDAC1
SCHEMBL16239183 0.83 NAMPT (0.49) NAMPTBRD4NCEH1KDM4AHDAC1
SCHEMBL31455874 0.82 MAPK1 (0.52) NAMPTBRD4HDAC1L3MBTL1MAPT
SCHEMBL29908861 0.81 BCHE (0.46) BRD4NCEH1TSHRKDM4AHSP90AA1
SCHEMBL15091138 0.80 KAT6A (0.45) BRD4NCEH1TSHRHSP90AA1CRHBP
SCHEMBL16239122 0.79 ANO1 (0.46) NCEH1HSP90AA1CRHBPCRHR2PRMT1
SCHEMBL16239123 0.78 NCEH1 (0.45) NCEH1TSHRHSP90AA1CRHBPCRHR2
SCHEMBL15091107 0.76 PRMT1 (0.41) BRD4NCEH1HSP90AA1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2024-12-19 US disclosed
US-12116351-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2024-10-15 US disclosed
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2022-12-01 US disclosed
US-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2018-07-19 US disclosed
US-9969700-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD. (JP) 2018-05-15 US disclosed
EP-2803662-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2017-03-01 EP disclosed
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2016-09-29 US disclosed
US-9382236-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2016-07-05 US disclosed
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2014-12-04 US disclosed
EP-2803662-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2014-11-19 EP 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 (9 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-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NAMPT 3485/4885BRD4 416/4885NCEH1 2070/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NAMPT 3266/4885BRD4 421/4885NCEH1 1891/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NAMPT 3338/4885BRD4 418/4885NCEH1 1864/4885

“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.