SCHEMBL231402

SCHEMBL231402

O=C(O)c1cc(Nc2ccc(Cl)cc2)cc(C(=O)c2ccc(Nc3ccc(Cl)cc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.59
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
MAPK14 Q16539 1/20 0.51
WDR5 P61964 1/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
MAPK1 P28482 1/20 0.46
PTGS2 P35354 1/20 0.45
CSNK2A1 P68400 1/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 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
SCHEMBL2743184 0.89 SRD5A2 (0.47) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL2743185 0.84 MAPK13 (0.47) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL230366 0.83 MAPT (0.51) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL11177087 0.82 TSHR (0.74) SRD5A2MAPK13MAPK12MAPK11MAPK14
SCHEMBL27334844 0.81 MAPT (0.52) WDR5ALOX15TSHRAKR1C3AKR1C2
SCHEMBL232741 0.81 LTC4S (0.52) SRD5A2AKR1C3AKR1C2
SCHEMBL12274592 0.78 SRD5A2 (0.70) SRD5A2ALOX15TSHRMAPK1CNR1
SCHEMBL13280280 0.77 AKR1C3 (0.65) AKR1C3AKR1C2MAPK1ALDH1A1LMNA
SCHEMBL4028272 0.76 SRD5A2 (1.00) SRD5A2ALOX15TSHRMAPK1ALDH1A1
SCHEMBL234666 0.76 NR4A1 (0.58) SRD5A2MAPK13MAPK12MAPK11MAPK14

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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US 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-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R SRD5A2 564/4885MAPK13 3484/4885MAPK12 3772/4885

“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.