SCHEMBL523154

SCHEMBL523154

O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A3 Q01959 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
LMNA P02545 1/20 0.66
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
ALOX5 P09917 1/20 0.62
HTT P42858 2/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
HPGD P15428 1/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
BCHE P06276 1/20 0.56

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
SCHEMBL8358751 0.94 KMT2A (0.67) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL11200758 0.91 ALDH1A1 (0.62) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL16695904 0.91 HTR2A (0.56) KMT2ASLC6A2SLC6A3TDP1LMNA
Alanine SCHEMBL27705533 0.89 ALDH1A1 (0.57) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL11116815 0.88 MEN1 (0.72) KMT2ALMNAALDH1A1RAB9AHTT
SCHEMBL11684706 0.87 ALDH1A1 (0.63) KMT2AALDH1A1RAB9AALOX5HTT
SCHEMBL9385826 0.86 ALDH1A1 (0.66) KMT2AALDH1A1RAB9AHTTMEN1
SCHEMBL5335470 0.86 KMT2A (0.60) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL12856432 0.86 ALOX5 (0.61) KMT2ASLC6A2SLC6A3TDP1LMNA
SCHEMBL9385816 0.86 ALDH1A1 (0.66) KMT2AALDH1A1RAB9AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977065-A FROM A PRODRUG CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-11-02 US claimed
US-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM UNIV GLASGOW COURT (GB) 2025-12-25 US disclosed
EP-4548355-A1 CHEMICAL SYNTHESIS PLATFORM The University Court Of The University Of Glasgow (GB) 2025-05-07 EP disclosed
CN-116751137-B Method for preparing chloro aromatic compound by photo-induced nitroarene denitration chlorination 华中师范大学 2025-03-07 CN disclosed
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2024-05-28 CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
WO-2024003151-A1 CHEMICAL SYNTHESIS PLATFORM THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2024-01-04 WO disclosed
US-11802108-B2 Compounds for the modulation of cyclophilins function THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-10-31 US disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科(深圳)有限公司 2023-10-13 CN disclosed
CN-110698459-B 1-phenyl-2-pyridylalkyl alcohol derivatives as phosphodiesterase inhibitors 奇斯药制品公司 2023-05-05 CN disclosed
EP-0672034-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1995-09-20 EP disclosed
WO-1995012678-A2 IMPROVEMENTS RELATING TO CANCER THERAPY CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-05-11 WO disclosed
EP-0542837-B1 PROPYLAMINE DERIVATIVES NORGINE LTD (GB) 1995-05-10 EP disclosed
EP-0638123-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1995-02-15 EP disclosed
WO-1995002420-A2 PRODRUGS OF PROTEIN TYROSINE KINASE INHIBITORS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1995-01-26 WO disclosed
WO-1994012478-A1 BENZIMIDAZOLE COMPOUNDS WHICH INHIBIT PLATELET AGGREGATION SMITHKLINE BEECHAM CORPORATION (US) 1994-06-09 WO disclosed
EP-0542837-A1 PROPYLAMINE DERIVATIVES. NORGINE LTD (GB) 1993-05-26 EP disclosed
EP-0540263-A1 Bacterial nitroreductase for the reduction of CB 1954 and analogues thereof to a cytotoxic form CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-05-05 EP disclosed
WO-1993008288-A1 BACTERIAL NITROREDUCTASE FOR THE REDUCTION OF CB 1954 AND ANALOGUES THEREOF TO A CYTOTOXIC FORM CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1993-04-29 WO disclosed
WO-1992002488-A1 PROPYLAMINE DERIVATIVES NORGINE LIMITED (GB) 1992-02-20 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 (2 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-11802108-B2 Compounds for the modulation of cyclophilins function CBR1, CBR3, PPIC KMT2A 4338/4885SLC6A2 1852/4885SLC6A3 1529/4885
US-20250391519-A1 CHEMICAL SYNTHESIS PLATFORM SET, CBS, COASY KMT2A 1049/4885SLC6A2 1809/4885SLC6A3 2358/4885

“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.