SCHEMBL6294409

SCHEMBL6294409

CN(C)c1cc([N+](=O)[O-])ccc1OP(=O)(Oc1ccc([N+](=O)[O-])cc1N(C)C)Oc1ccc([N+](=O)[O-])cc1N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.44
HTT P42858 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CYP19A1 P11511 5/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE2A O00408 1/20 0.38
PDE5A O76074 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
SCHEMBL6294413 0.88 CA1 (0.51) ALDH1A1TDP1HTTCA1CA2
SCHEMBL6294410 0.88 CA1 (0.51) ALDH1A1TDP1HTTCA1CA2
SCHEMBL6041193 0.77 ALDH1A1 (0.54) ALDH1A1TDP1HTTTSHRLMNA
SCHEMBL1525903 0.76 CA1 (0.49) ALDH1A1TDP1HTTCA1CA2
SCHEMBL19381536 0.76 ALDH1A1 (0.46) ALDH1A1TDP1HTTCYP19A1LMNA
SCHEMBL11819145 0.76 ALDH1A1 (0.64) ALDH1A1TDP1HTTACHECYP19A1
SCHEMBL4535383 0.76 HSD17B10 (0.56) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL1131658 0.73 ALDH1A1 (0.62) ALDH1A1TDP1HTTACHETSHR
SCHEMBL28257783 0.73 ALDH1A1 (0.58) ALDH1A1TDP1HTTTSHRLMNA
SCHEMBL10878837 0.72 HTT (0.62) ALDH1A1TDP1HTTCYP19A1LMNA

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 ALDH1A1 489/4885TDP1 478/4885HTT 536/4885

“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.