SCHEMBL6503380

SCHEMBL6503380

COc1ccc(C(C(=O)C(c2ccc([N+](=O)[O-])cc2)c2ccc(OC)c([N+](=O)[O-])c2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.49
▸ GRM8 O00222 3/20 0.47
▸ GRM4 Q14833 3/20 0.47
▸ GRM6 O15303 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL6495434 0.82 ALDH1A1 (0.51) GRM8GRM4GRM6TDP1ALDH1A1
SCHEMBL397931 0.77 TDP1 (0.66) TTRTDP1ALDH1A1CYP19A1PTGS2
SCHEMBL20328418 0.77 TDP1 (0.66) TTRTDP1ALDH1A1CYP19A1PTGS2
SCHEMBL20328412 0.77 TDP1 (0.66) TTRTDP1ALDH1A1CYP19A1PTGS2
SCHEMBL29351649 0.77 TDP1 (0.66) TTRTDP1ALDH1A1CYP19A1PTGS2
SCHEMBL29192875 0.77 GRM8 (0.52) GRM8GRM4GRM6TDP1ALDH1A1
SCHEMBL12089924 0.76 ALDH1A1 (0.53) GRM8GRM4GRM6TDP1ALDH1A1
SCHEMBL31480976 0.76 AKR1C3 (0.57) GRM8GRM4GRM6TDP1ALDH1A1
SCHEMBL3866115 0.76 AKR1C3 (0.57) GRM8GRM4GRM6TDP1ALDH1A1
SCHEMBL31347515 0.75 ALDH1A1 (0.51) GRM8GRM4GRM6TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6858739-B2 Indole and benzimidazole 15-lipoxygenase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-22 — — US disclosed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 — — US disclosed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 — — EP disclosed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 — — 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-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors ALOX15, ALOX5, ALOX12 TTR 4394/4885GRM8 4651/4885GRM4 4428/4885

“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.

Send feedback