SCHEMBL16239122

SCHEMBL16239122

COc1cc(Nc2ccc3ccccc3c2[N+](=O)[O-])ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
NCEH1 Q6PIU2 1/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PRMT1 Q99873 1/20 0.40
GAA P10253 3/20 0.40
FBP1 P09467 1/20 0.39
LMNA P02545 1/20 0.39
KCNMA1 Q12791 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38

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 0.87 PRMT1 (0.52) HTTNCEH1MEN1KMT2APRMT1
SCHEMBL15090932 0.87 PRMT1 (0.52) HTTNCEH1MEN1KMT2APRMT1
SCHEMBL15091138 0.86 KAT6A (0.45) NCEH1MEN1KMT2APRMT1LMNA
SCHEMBL16239142 0.84 KMT2A (0.43) MEN1KMT2AGAAALDH1A1
SCHEMBL29908816 0.84 KMT2A (0.43) MEN1KMT2AGAAALDH1A1
SCHEMBL30094478 0.83 EGFR (0.47) ANO1ANO2HTTPKMATM
SCHEMBL15091107 0.81 PRMT1 (0.41) NCEH1MEN1KMT2APRMT1LMNA
SCHEMBL16239229 0.79 NAMPT (0.46) NCEH1PRMT1MAPTHSP90AA1CRHBP
SCHEMBL16239123 0.76 NCEH1 (0.45) ANO1ANO2NCEH1MEN1KMT2A
SCHEMBL5285260 0.74 PKM (0.78) HTTPKMATMMEN1KMT2A

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-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
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 (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 ANO1 1179/4885ANO2 1318/4885HTT 3167/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ANO1 1439/4885ANO2 1648/4885HTT 4098/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ANO1 1413/4885ANO2 1615/4885HTT 4069/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ANO1 1413/4885ANO2 1615/4885HTT 4069/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 ANO1 1413/4885ANO2 1615/4885HTT 4069/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 ANO1 1413/4885ANO2 1615/4885HTT 4069/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 ANO1 1413/4885ANO2 1615/4885HTT 4069/4885

“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.