SCHEMBL8807928

SCHEMBL8807928

O=[N+]([O-])c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.50
TSHR P16473 1/20 0.48
CYP3A4 P08684 1/20 0.45
HSP90AA1 P07900 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
HPRT1 P00492 1/20 0.37
PTPN1 P18031 1/20 0.35

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
SCHEMBL30731238 1.00 NCEH1 (0.50) NCEH1TSHRCYP3A4HSP90AA1CRHBP
SCHEMBL26933718 0.83 HSP90AA1 (0.38) NCEH1TSHRCYP3A4HSP90AA1CRHBP
SCHEMBL24150446 0.83 S1PR4 (0.36) NCEH1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL26933457 0.82 HSP90AA1 (0.42) NCEH1TSHRCYP3A4HSP90AA1CRHBP
SCHEMBL16239172 0.82 HASPIN (0.43) NCEH1MAPTLMNAHTTPDE4A
SCHEMBL8623033 0.81 NCEH1 (0.57) NCEH1TSHRCYP3A4HSP90AA1CRHBP
SCHEMBL6361624 0.81 HNF4A (0.43) MAPTLMNAHPGDALDH1A1PTPN1
SCHEMBL2312202 0.80 CASP6 (0.38) NCEH1TSHRMAPTSMN1; SMN2LMNA
SCHEMBL635407 0.79 MAPT (0.49) TSHRCYP3A4NPC1RAB9AMAPT
SCHEMBL29560409 0.79 MAPT (0.49) TSHRCYP3A4NPC1RAB9AMAPT

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250360143-A1 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY UNIV CONNECTICUT (US) 2025-11-27 US disclosed
EP-4536215-A2 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY University of Connecticut (US) 2025-04-16 EP disclosed
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
WO-2023239767-A2 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY UNIVERSITY OF CONNECTICUT (US) 2023-12-14 WO 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
EP-3020717-B1 P2X4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO (JP) 2021-12-15 EP 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
US-20130281441-A1 DIAZEPINEDIONE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2013-10-24 US disclosed
EP-2631229-A1 P2X4 RECEPTOR ANTAGONIST Nippon Chemiphar Co., Ltd. (JP) 2013-08-28 EP disclosed
EP-2397480-B1 DIAZEPINEDIONE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2013-08-14 EP disclosed
CN-103237794-A P2X4Receptor antagonists NIPPONCHEMIPHAR CO LTD 2013-08-07 CN disclosed
US-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2013-07-11 US disclosed
US-8470814-B2 Diazepinedione derivative NIPPON CHEMIPHAR CO., LTD. (JP) 2013-06-25 US disclosed
US-20110319610-A1 DIAZEPINEDIONE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 2011-12-29 US disclosed
EP-2397480-A1 DIAZEPINEDIONE DERIVATIVE Nippon Chemiphar Co., Ltd. (JP) 2011-12-21 EP disclosed
EP-0696289-B1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AG (DE) 1997-03-12 EP disclosed
WO-1994025470-A1 BENZO[F]QUINOXALINDIONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN DRUGS SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-10 WO 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-20130178625-A1 P 2 X 4 RECEPTOR ANTAGONIST P2RX4, P2RX2, P2RY4 NCEH1 2192/4885TSHR 540/4885CYP3A4 405/4885
US-20220380322-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 1864/4885TSHR 584/4885CYP3A4 1142/4885
US-20130281441-A1 DIAZEPINEDIONE DERIVATIVE P2RX7, P2RX4, P2RX3 NCEH1 3287/4885TSHR 303/4885CYP3A4 466/4885
US-20250360143-A1 COMPOSITIONS AND METHODS FOR PHARMACOLOGIC TREATMENT OF STROKE AND MYOCARDIAL ISCHEMIA REPERFUSION INJURY PLAT, SERPINE1, SERPINC1 NCEH1 298/4885TSHR 817/4885CYP3A4 3466/4885
US-20240417379-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 2070/4885TSHR 614/4885CYP3A4 1082/4885
US-20110319610-A1 DIAZEPINEDIONE DERIVATIVE P2RX7, P2RX4, P2RX3 NCEH1 3287/4885TSHR 303/4885CYP3A4 466/4885
US-12116351-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NCEH1 1864/4885TSHR 584/4885CYP3A4 1142/4885
US-20200223806-A1 P2X4 RECEPTOR ANTAGONIST P2RX7, P2RX1, P2RX2 NCEH1 1864/4885TSHR 584/4885CYP3A4 1142/4885
US-11434207-B2 P2X4 receptor antagonist P2RX7, P2RX1, P2RX2 NCEH1 1864/4885TSHR 584/4885CYP3A4 1142/4885

“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.