SCHEMBL641210

SCHEMBL641210

O=[N+]([O-])c1ccccc1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
RECQL P46063 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PDE7A Q13946 1/20 0.50
EPAS1 Q99814 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
THRB P10828 1/20 0.47
LTA4H P09960 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL28219324 0.88 L3MBTL1 (0.62) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL14744331 0.87 MEN1 (0.61) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL641831 0.85 HPGD (0.65) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL4693866 0.83 HPGD (0.55) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL11307832 0.82 HPGD (0.66) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL10360452 0.81 L3MBTL1 (0.59) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL1341164 0.81 HPGD (0.64) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL238962 0.80 L3MBTL1 (0.62) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL31522169 0.80 L3MBTL1 (0.58) HPGDL3MBTL1ALDH1A1TDP1RECQL
SCHEMBL39472 0.80 HPGD (0.78) HPGDL3MBTL1ALDH1A1TDP1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20110021471-A1 REDUCING Abeta42 LEVELS AND Abeta AGGREGATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2011-01-27 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 US disclosed
EP-1960347-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS Sterix Limited (GB) 2008-08-27 EP disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 WO disclosed
WO-2007003934-A2 17BETA-HYDR0XYSTER0ID DEHYDROGENASE TYPE 3 (17BETA-HSD3 ) INHIBITORS STERIX LIMITED (GB) 2007-01-11 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-20110021471-A1 REDUCING Abeta42 LEVELS AND Abeta AGGREGATION APP, BACE1, GAP43 HPGD 2725/4885L3MBTL1 2375/4885ALDH1A1 3204/4885
US-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 HPGD 2590/4885L3MBTL1 2752/4885ALDH1A1 2109/4885

“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.