SCHEMBL96841

SCHEMBL96841

O=COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
LMNA P02545 3/20 0.56
TTR P02766 3/20 0.56
HSPB1 P04792 3/20 0.55
TDP1 Q9NUW8 2/20 0.53
GPR35 Q9HC97 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.52
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
POLB P06746 2/20 0.49
HTT P42858 2/20 0.47

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
SCHEMBL7296262 0.87 GPR35 (0.50) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL28069673 0.87 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29057897 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29749853 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL16333959 0.84 MEN1 (0.54) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL29390372 0.82 HSPB1 (0.73) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL708511 0.82 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1042708 0.82 HSPB1 (0.73) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL1191137 0.82 HSD17B10 (0.56) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL18996628 0.82 TDP1 (0.65) MEN1KMT2AALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633267-B1 Process for the preparation of alpha-amino acid amide for use in peptide synthesis SOLVAY (BE) 2001-09-26 EP claimed
EP-0654043-A4 METHOD FOR PREPARING A METAL-RADIONUCLIDE-LABELLED PROTEIN. MALLINCKRODT MEDICAL INC (US) 1997-07-16 EP claimed
US-5532171-A PHENOTHIAZINE DYES FOR PHOTODYNAMIC THERAPY OF CANCER OR IMMUNOASSAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5506362-A Process for the preparation of an α-amino acid amide SOLVAY (SOCIETE ANONYME) (BE) 1996-04-09 US claimed
EP-0654043-A1 METHOD FOR PREPARING A METAL-RADIONUCLIDE-LABELLED PROTEIN MALLINCKRODT MEDICAL, INC. (US) 1995-05-24 EP claimed
WO-1994025488-A1 METHOD FOR PREPARING A METAL-RADIONUCLIDE-LABELLED PROTEIN MALLINCKRODT MEDICAL, INC. (US) 1994-11-10 WO claimed
US-5344928-A Phenothiazine compounds for cancer treatment or immunoassay using chemiluminescence TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-09-06 US claimed
EP-0593452-A1 METHOD FOR PREPARING A METAL-RADIONUCLIDE-LABELLED PROTEIN MALLINCKRODT MEDICAL, INC. (US) 1994-04-27 EP claimed
EP-0540612-A1 HETEROBIFUNCTIONAL REAGENTS AND CONJUGATES WITH OXAALKYLENE UNITS FOR AMPHIPHILIC BRIDGE STRUCTURES Pharmacia AB (SE) 1993-05-12 EP claimed
EP-0510668-A2 Phenothiazine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-28 EP claimed
EP-0593452-A4 METHOD FOR PREPARING A METAL-RADIONUCLIDE-LABELLED PROTEIN. MALLINCKRODT MEDICAL INC (US) 1992-08-31 EP claimed
WO-1992001474-A1 HETEROBIFUNCTIONAL REAGENTS AND CONJUGATES WITH OXAALKYLENE UNITS FOR AMPHIPHILIC BRIDGE STRUCTURES KABI PHARMACIA AB (SE) 1992-02-06 WO claimed
WO-1991007991-A1 METHOD FOR PREPARING A METAL-RADIONUCLIDE-LABELLED PROTEIN MALLINCKRODT MEDICAL, INC. (US) 1991-06-13 WO claimed
EP-0362634-A2 Basic dihydropyridines, process for their preparation and their use as intermediates BAYER AG (DE) 1990-04-11 EP claimed
EP-4387954-A1 LONG-LIVED REDOX-ACTIVE MOLECULES WITH LOW REDOX POTENTIAL President and Fellows of Harvard College (US) 2024-06-26 EP disclosed
US-20240165267-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2024-05-23 US disclosed
US-11987590-B2 Compounds that participate in cooperative binding and uses thereof Revolution Medicines, Inc. (US) 2024-05-21 US disclosed
US-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed
EP-0000574-A1 Benzimidazole-2 derivatives, their preparation and their use for the preparation of medicaments CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed
US-3988326-A Process for N-acylation of 7 amino cephem compounds MEIJI SEIKA KAISHA, LTD. (JA) 1976-10-26 US 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-11987590-B2 Compounds that participate in cooperative binding and uses thereof CEP170, PIN1, FKBP3 MEN1 2531/4885KMT2A 4097/4885ALDH1A1 4800/4885
US-20240165267-A1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF NSUN2, ADAR, NSUN3 MEN1 2749/4885KMT2A 973/4885ALDH1A1 1969/4885

“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.