SCHEMBL1083207

SCHEMBL1083207

CCCCC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
CRHBP P24387 1/20 0.60
CRHR2 Q13324 1/20 0.60
MTNR1A P48039 3/20 0.59
MTNR1B P49286 3/20 0.59
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL10784720 0.81 TDP1 (0.70) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL1028474 0.81 TDP1 (0.60) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL1082885 0.79 TDP1 (0.54) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4255397 0.79 TDP1 (0.55) MAPTKMT2ATDP1ALDH1A1LMNA
SCHEMBL267897 0.79 KMT2A (0.54) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL10784207 0.79 TDP1 (0.56) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL10784985 0.78 TDP1 (0.62) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL2724028 0.78 TDP1 (0.62) MAPTKMT2AMEN1TDP1ALDH1A1
SCHEMBL3512673 0.78 TDP1 (0.62) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL1656632 0.78 TDP1 (0.57) MAPTKMT2AMEN1TDP1ALDH1A1

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 MAPT 4587/4885KMT2A 3849/4885MEN1 2758/4885

“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.