SCHEMBL6294413

SCHEMBL6294413

CN(C)c1cc([N+](=O)[O-])ccc1OP(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
INPPL1 O15357 3/20 0.40
INPP5A Q14642 3/20 0.40
HTT P42858 1/20 0.40
AKT1 P31749 1/20 0.40
CYP19A1 P11511 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
INPP5B P32019 1/20 0.39
CDC25C P30307 1/20 0.38
GAA P10253 1/20 0.38
AKR1C3 P42330 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6294410 1.00 CA1 (0.51) CA1CA2ALDH1A1CES2CES1
SCHEMBL6294409 0.88 ALDH1A1 (0.48) CA1CA2ALDH1A1CES2CES1
SCHEMBL7064128 0.81 CA1 (0.61) CA1CA2ALDH1A1CES2CES1
SCHEMBL13980850 0.80 CA1 (0.56) CA1CA2ALDH1A1CES2CES1
SCHEMBL6041202 0.78 CA1 (0.57) CA1CA2ALDH1A1CES2CES1
SCHEMBL6041195 0.78 CA1 (0.57) CA1CA2ALDH1A1CES2CES1
SCHEMBL1525906 0.78 CA1 (0.53) CA1CA2ALDH1A1CES2CES1
SCHEMBL901296 0.78 CA1 (0.53) CA1CA2ALDH1A1CES2CES1
SCHEMBL4816746 0.77 CA1 (0.56) CA1CA2ALDH1A1CES2CES1
SCHEMBL4823831 0.77 CA1 (0.56) CA1CA2ALDH1A1CES2CES1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867197-B1 Method of targeting conjugate molecules to mitochondria MITOKOR (US) 2005-03-15 US disclosed
US-20030087858-A1 Diagnostic and therapeutic compositions for alzheimer's disease MITOKOR (US) 2003-05-08 US disclosed
US-6171859-B1 DEFECTIVE CYTOCHROME C OXIDASE; DIAGNOSING ALZHEIMER*S DISEASE MITOKOR 2001-01-09 US disclosed
US-6146831-A CYBRID CELL LINE OF CULTURED CELLS HAVING GENOMIC AND MITOCHONDRIAL NUCLEIC ACIDS OF DIFFERENT BIOLOGICAL ORIGINS; FOR DRUG SCREENING AND EVALUATION OF THERAPY MITOKOR (US) 2000-11-14 US disclosed
EP-0751951-A4 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS MITOKOR (US) 2000-05-03 EP disclosed
EP-0939832-A1 MITOCHONDRIAL DNA MUTATIONS THAT SEGREGATE WITH LATE ONSET DIABETES MELLITUS Mitokor (US) 1999-09-08 EP disclosed
US-5840493-A DIAGNOSIS OF LATE ONSET DIABETES BY DETECTION OF MUTATIONS IN ADENOSINE TRIPHOSPHATE SYNTHASE OR TRANSFER RNA (LYS) GENES IN A BIOLOGICAL SAMPLE; LABELLED NUCLEOTIDE SEQUENCES AS DETECTORS; ACCURACY MITOKOR (US) 1998-11-24 US disclosed
WO-1998017826-A1 MITOCHONDRIAL DNA MUTATIONS THAT SEGREGATE WITH LATE ONSET DIABETES MELLITUS MITOKOR (US) 1998-04-30 WO disclosed
EP-0751951-A1 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS Mitokor (US) 1997-01-08 EP disclosed
WO-1995026973-A1 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS MITOKOR (US) 1995-10-12 WO disclosed
EP-0272330-B1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1991-05-22 EP disclosed
US-4897503-A ANTITUMOR AGENTS; TREATING MAMMARY CANCER AND ANOVULATORY INFERTILITY TAIHO PHARMACEUTICAL (JP) 1990-01-30 US disclosed
EP-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 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 (1 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-20030087858-A1 Diagnostic and therapeutic compositions for alzheimer's disease COX5A, MT-CO3, COX6A1 CA1 543/4885CA2 772/4885ALDH1A1 489/4885

“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.