SCHEMBL6504255

SCHEMBL6504255

COc1ccc(-c2cc3ccccc3[nH]2)cc1NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
CRHBP P24387 2/20 0.56
CRHR2 Q13324 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL6506153 0.91 KMT2A (0.65) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6493106 0.87 MAPT (0.54) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6504311 0.86 ABCB1 (0.47) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6504898 0.86 ABCB1 (0.49) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL6497333 0.79 KMT2A (0.61) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL5635182 0.75 NPC1 (0.73) MAPTKMT2AMEN1HTTL3MBTL1
SCHEMBL6503173 0.75 RAB9A (0.58) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6503258 0.73 ABCB1 (0.46) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL7159203 0.73 ABCB1 (0.44) MAPTKMT2AMEN1CRHBPCRHR2
Hydrochloric Acid SCHEMBL6500211 0.73 ABCB1 (0.45) MAPTKMT2AMEN1CRHBPCRHR2

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 7 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
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 MAPT 4865/4885KMT2A 2042/4885MEN1 4793/4885

“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.