SCHEMBL1026672

SCHEMBL1026672

COC(=O)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 5/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BRAF P15056 3/20 0.47
HDAC1 Q13547 3/20 0.47
RAF1 P04049 1/20 0.47
ARAF P10398 1/20 0.47
TDP1 Q9NUW8 1/20 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
SCHEMBL7118483 0.89 KMT2A (0.54) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL1031276 0.88 TDP1 (0.61) ALDH1A1MAPTNPSR1KDM4EGAA
SCHEMBL3512673 0.86 TDP1 (0.62) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL31557892 0.86 MEN1 (0.51) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL890895 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL178001 0.85 TDP1 (0.52) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL10923404 0.85 MEN1 (0.56) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL27852740 0.85 MAPT (0.47) ALDH1A1KMT2AMAPTMEN1NPC1
SCHEMBL1026867 0.84 TDP1 (0.55) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL23385258 0.84 KMT2A (0.61) ALDH1A1KMT2AMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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 (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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R ALDH1A1 474/4885KMT2A 3849/4885MAPT 4587/4885

“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.