SCHEMBL1082241

SCHEMBL1082241

CCCCCNS(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.45
TBXA2R P21731 6/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
MMP2 P08253 3/20 0.43
CA9 Q16790 3/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL1465587 0.92 TDP1 (0.46) ALDH1A1TDP1PKMLMNAHTT
SCHEMBL1074499 0.84 ALDH1A1 (0.52) ALDH1A1PKMLMNAHTTMAPK1
SCHEMBL1656632 0.82 TDP1 (0.57) ALDH1A1TDP1LMNAHTTMEN1
SCHEMBL10787975 0.80 TDP1 (0.59) ALDH1A1TDP1PKMLMNA
SCHEMBL10784720 0.80 TDP1 (0.70) ALDH1A1TDP1HTTMAPK1MEN1
SCHEMBL1081632 0.79 HCAR3 (0.49) ALDH1A1TDP1PKMLMNAMAPK1
SCHEMBL4255397 0.78 TDP1 (0.55) ALDH1A1TDP1LMNAMAPK1KMT2A
SCHEMBL1083207 0.77 MAPT (0.60) ALDH1A1TDP1LMNAMAPK1MEN1
SCHEMBL1465465 0.77 ALDH1A1 (0.50) ALDH1A1PKMLMNAHTTMAPK1
SCHEMBL3512673 0.76 TDP1 (0.62) ALDH1A1TDP1LMNAHTTMAPK1

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 474/4885TDP1 4176/4885PKM 2760/4885

“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.