SCHEMBL6503258

SCHEMBL6503258

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.46
ABCC1 P33527 3/20 0.46
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.35

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
Hydrochloric Acid SCHEMBL6500211 0.99 ABCB1 (0.45) ABCB1ABCC1MAPTKMT2AMEN1
SCHEMBL7159203 0.93 ABCB1 (0.44) ABCB1ABCC1MAPTKMT2AMEN1
SCHEMBL6504898 0.88 ABCB1 (0.49) ABCB1ABCC1MAPTKMT2AMEN1
SCHEMBL6493106 0.87 MAPT (0.54) ABCB1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6497333 0.85 KMT2A (0.61) ABCB1MAPTKMT2AMEN1ALDH1A1
SCHEMBL6833490 0.82 MAPT (0.41) ABCB1ABCC1MAPTKMT2AMEN1
SCHEMBL6496194 0.81 MAPT (0.43) MAPTKMT2AMEN1ALDH1A1CRHBP
SCHEMBL6504311 0.81 ABCB1 (0.47) ABCB1ABCC1MAPTKMT2AMEN1
SCHEMBL6493899 0.80 MAPT (0.47) MAPTKMT2AMEN1ALDH1A1CRHBP
SCHEMBL6494687 0.80 HDAC8 (0.44) MAPTKMT2AALDH1A1L3MBTL1KDM4E

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 8 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 claimed
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US claimed
EP-1294686-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-03-26 EP claimed
WO-2001096299-A2 INDOLE DERIVATIVES AND THEIR USE AS 15-LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-12-20 WO claimed
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 ABCB1 2657/4885ABCC1 3429/4885MAPT 4865/4885

“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.