SCHEMBL16239123

SCHEMBL16239123

CON(C(=O)OC(C)(C)C)c1ccc(Nc2ccc3ccccc3c2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.45
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 1/20 0.38
ANO1 Q5XXA6 1/20 0.36
ANO2 Q9NQ90 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
NR1D1 P20393 3/20 0.35
MAPT P10636 4/20 0.35
PRMT1 Q99873 1/20 0.35
POLB P06746 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL29908819 0.81 PRMT1 (0.52) NCEH1HSP90AA1CRHBPCRHR2TSHR
SCHEMBL15090932 0.81 PRMT1 (0.52) NCEH1HSP90AA1CRHBPCRHR2TSHR
SCHEMBL16239229 0.78 NAMPT (0.46) NCEH1HSP90AA1CRHBPCRHR2TSHR
SCHEMBL15091138 0.77 KAT6A (0.45) NCEH1HSP90AA1CRHBPCRHR2TSHR
SCHEMBL16239122 0.76 ANO1 (0.46) NCEH1HSP90AA1CRHBPCRHR2ANO1
SCHEMBL12047547 0.73 TSHR (0.54) NCEH1HSP90AA1CRHBPCRHR2TSHR
SCHEMBL16238945 0.73 HSP90AA1 (0.49) NCEH1HSP90AA1CRHBPCRHR2TSHR
SCHEMBL15091107 0.72 PRMT1 (0.41) NCEH1HSP90AA1CRHBPCRHR2KMT2A
SCHEMBL5285266 0.72 ALDH1A1 (0.45) CRHBPCRHR2TSHRKMT2AMEN1
SCHEMBL18010786 0.71 HSP90AA1 (0.49) NCEH1HSP90AA1CRHBPCRHR2TSHR

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 14 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-11434207-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2022-09-06 US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 CN disclosed
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD (JP) 2020-07-16 US disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 CN disclosed
US-10633349-B2 P2X4 receptor antagonist NIPPON CHEMIPHAR CO., LTD (JP) 2020-04-28 US disclosed
CN-104066724-B P2X4 receptor antagonists 日本化学药品株式会社 2020-04-17 CN 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 (7 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-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 2070/4885HSP90AA1 3800/4885CRHBP 1364/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 1891/4885HSP90AA1 3923/4885CRHBP 1032/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 1864/4885HSP90AA1 3933/4885CRHBP 1095/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 1864/4885HSP90AA1 3933/4885CRHBP 1095/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NCEH1 1864/4885HSP90AA1 3933/4885CRHBP 1095/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NCEH1 1864/4885HSP90AA1 3933/4885CRHBP 1095/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 1864/4885HSP90AA1 3933/4885CRHBP 1095/4885

“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.