SCHEMBL5645575

SCHEMBL5645575

COC(=O)Cc1c(C)n(C(=O)c2ccc(OCc3ccccc3)cc2)c2ccc(OC)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.77
AKR1C2 P52895 6/20 0.74
PTGS2 P35354 7/20 0.72
CNR2 P34972 3/20 0.72
LMNA P02545 2/20 0.68
CYP1A2 P05177 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C9 P11712 2/20 0.68
HIF1A Q16665 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
PLA2G2A P14555 1/20 0.66
CNR1 P21554 2/20 0.64
AKR1C4 P17516 2/20 0.62
AKR1C1 Q04828 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
PTGES O14684 1/20 0.62
ABCC3 O15438 1/20 0.62

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
SCHEMBL5645826 0.92 LMNA (0.80) AKR1C3AKR1C2PTGS2LMNACYP1A2
SCHEMBL6102416 0.88 AKR1C3 (0.84) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL16656482 0.86 AKR1C3 (1.00) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL10718119 0.85 AKR1C3 (0.74) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL11614146 0.85 PTGS2 (0.83) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL30761037 0.84 AKR1C3 (0.87) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL30426824 0.84 PTGS2 (1.00) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL14086813 0.84 PTGS2 (1.00) AKR1C3AKR1C2PTGS2CNR2LMNA
SCHEMBL5644884 0.83 LMNA (0.77) AKR1C3AKR1C2PTGS2LMNACYP1A2
SCHEMBL10583059 0.82 AKR1C3 (0.69) AKR1C3AKR1C2PTGS2CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US claimed
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US claimed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US claimed
US-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-27 US claimed
EP-1600440-A1 INDOLE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP claimed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US claimed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
US-7291644-B2 Indole derivatives ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-06 US disclosed
US-7135495-B2 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2006-11-14 US disclosed
US-20060194864-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. 2006-08-31 US disclosed
US-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-04-27 US disclosed
EP-1600440-A1 INDOLE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP disclosed
US-20050004097-A1 Indole derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-06 US disclosed
EP-1424335-A1 INDOLE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP 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 (3 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-20060194864-A1 Indole derivatives IDO1, IDO2, PTGIR AKR1C3 1002/4885AKR1C2 1221/4885PTGS2 71/4885
US-20050004097-A1 Indole derivatives IDO1, IDO2, PTGIR AKR1C3 1002/4885AKR1C2 1221/4885PTGS2 71/4885
US-20060089353-A1 Indole derivative compounds and drugs containing the compounds as the active ingredient PTGIS, IDO1, IDO2 AKR1C3 2307/4885AKR1C2 2333/4885PTGS2 17/4885

“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.