SCHEMBL7554208

SCHEMBL7554208

Cn1c(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cnc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.52
▸ ENO1 P06733 1/20 0.44
▸ BCL9 O00512 1/20 0.43
▸ CTNNB1 P35222 1/20 0.43
▸ GAA P10253 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ MAOB P27338 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MGLL Q99685 1/20 0.39
▸ HPGD P15428 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
SCHEMBL7604170 0.88 HTR2A (0.51) HTR2AENO1GAAALDH1A1KMT2A
SCHEMBL29071595 0.85 ENO1 (0.53) ENO1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL20362202 0.84 ENO1 (0.50) ENO1GAAALDH1A1KMT2AKDM4E
SCHEMBL30740366 0.80 HTR2A (0.53) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL23616423 0.79 HTR2A (0.42) HTR2AENO1ALDH1A1KMT2AKDM4E
SCHEMBL7556049 0.79 LMNA (0.62) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL29071597 0.79 ENO1 (0.52) ENO1GAAALDH1A1KMT2AKDM4E
SCHEMBL13931737 0.79 ENO1 (0.52) ENO1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL30530238 0.77 PARP1 (0.37) HTR2AENO1GAAALDH1A1KMT2A
SCHEMBL14387499 0.77 LMNA (0.59) ENO1ALDH1A1KMT2AKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056913-A1 COMPOUND AND METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2025-03-20 — — WO disclosed
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2023-11-16 — — US disclosed
EP-4217357-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER Auckland Uniservices Limited (NZ) 2023-08-02 — — EP disclosed
WO-2022064430-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER AUCKLAND UNISERVICES LIMITED (NZ) 2022-03-31 — — WO disclosed
EP-2336141-B1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS INC (US) 2016-03-30 — — EP disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-9226932-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2016-01-05 — — US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 — — US disclosed
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-06-19 — — US disclosed
US-8664204-B2 Phosphoramidate alkylator prodrugs THRESHOLD PHARMACEUTICALS, INC. (US) 2014-03-04 — — US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 — — EP disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 — — US disclosed
US-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS IMMUNOGENESIS, INC. 2010-06-03 — — US disclosed
US-20080132458-A1 Hypoxia-Activated Anti-Cancer Agents THRESHOLD PHARMACEUTICALS, INC. (US) 2008-06-05 — — US disclosed
US-20070060534-A1 Anthracycline analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-03-15 — — US disclosed
US-20070060534-A1 Anthracycline analogs THRESHOLD PHARMACEUTICALS, INC. (US) 2007-03-15 — — US disclosed
WO-2007002931-A2 PHOSPHORAMIDATE ALKYLATOR PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2007-01-04 — — WO disclosed
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 — — EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 — — WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 — — 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 (5 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-20100137254-A1 PHOSPHORAMIDATE ALKYLATOR PRODRUGS TYMP, PAICS, PNP HTR2A 3357/4885ENO1 1951/4885BCL9 525/4885
US-20070060534-A1 Anthracycline analogs TOP2A, TOP2B, TOP1 HTR2A 4344/4885ENO1 2606/4885BCL9 31/4885
US-20080132458-A1 Hypoxia-Activated Anti-Cancer Agents HIF1AN, HIF1A, HYOU1 HTR2A 2315/4885ENO1 171/4885BCL9 1894/4885
US-20230365559-A1 NOVEL AMINOPYRIDINES AND THEIR USE IN TREATING CANCER DCK, DTYMK, TYMP HTR2A 3353/4885ENO1 3441/4885BCL9 1488/4885
US-20140170240-A1 Phosphoramidate Alkylator Prodrugs TYMP, PAICS, PNP HTR2A 3408/4885ENO1 1993/4885BCL9 519/4885

“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.

Send feedback