SCHEMBL16239172

SCHEMBL16239172

O=[N+]([O-])c1c(OS(=O)(=O)C(F)(F)F)ccc2cnccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HASPIN Q8TF76 8/20 0.43
GSK3B P49841 1/20 0.43
DAPK3 O43293 1/20 0.40
PLK1 P53350 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PLK2 Q9NYY3 1/20 0.40
CLK1 P49759 1/20 0.40
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
ERN1 O75460 1/20 0.33
PTPN1 P18031 1/20 0.33
PTGS1 P23219 1/20 0.33

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
SCHEMBL8807928 0.82 NCEH1 (0.50) MAPTHTTLMNAPDE4APDE4C
SCHEMBL30731238 0.82 NCEH1 (0.50) MAPTHTTLMNAPDE4APDE4C
SCHEMBL18318687 0.79 PTGS1 (0.38) ERN1PTGS1PTGS2
SCHEMBL3609606 0.78 HASPIN (0.56) HASPINGSK3BDAPK3PLK1PLK3
SCHEMBL26933457 0.78 HSP90AA1 (0.42) MAPTLMNAPDE4APDE4CPDE4D
SCHEMBL24150446 0.76 S1PR4 (0.36) MAPTHTTLMNAPDE4APDE4C
SCHEMBL26933718 0.76 HSP90AA1 (0.38) MAPTHTTLMNAPDE4APDE4C
SCHEMBL2423484 0.76 KCNA3 (0.48) HTTLMNAPTGS1PTGS2
SCHEMBL2312202 0.76 CASP6 (0.38) MAPTLMNATDP1NCEH1PTPN1
SCHEMBL18131083 0.75 MAPT (0.42) MAPTLMNAPDE4APDE4CPDE4D

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 16 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
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 (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 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HASPIN 2284/4885GSK3B 2819/4885DAPK3 3112/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885
US-20160280667-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HASPIN 1603/4885GSK3B 2871/4885DAPK3 3225/4885
US-20140357858-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885
US-10633349-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885
US-20180201587-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 HASPIN 1643/4885GSK3B 2813/4885DAPK3 3200/4885

“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.