SCHEMBL6495434

SCHEMBL6495434

COc1ccc(C(C(=O)C(c2ccc(OC)c([N+](=O)[O-])c2)c2ccccc2[N+](=O)[O-])c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ CYP3A4 P08684 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ GRM8 O00222 3/20 0.45
▸ GRM4 Q14833 3/20 0.45
▸ GRM6 O15303 2/20 0.45
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL6503380 0.82 TTR (0.49) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL29192875 0.75 GRM8 (0.52) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL12089924 0.74 ALDH1A1 (0.53) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL3866115 0.74 AKR1C3 (0.57) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL31480976 0.74 AKR1C3 (0.57) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL31347515 0.73 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL31584827 0.73 ALDH1A1 (0.51) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL7978440 0.73 GRM8 (0.54) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL7245339 0.73 ALDH1A1 (0.60) ALDH1A1TDP1CYP3A4TSHRKMT2A
SCHEMBL31481066 0.73 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRKMT2A

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 ALDH1A1 470/4885TDP1 2987/4885CYP3A4 137/4885

“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.

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