SCHEMBL6833490

SCHEMBL6833490

COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 6/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCC1 P33527 1/20 0.38

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
SCHEMBL6497333 0.82 KMT2A (0.61) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL6503258 0.82 ABCB1 (0.46) MAPTHTTGAAPKMMEN1
SCHEMBL7159203 0.82 ABCB1 (0.44) MAPTHTTGAAPKMMEN1
Hydrochloric Acid SCHEMBL6500211 0.81 ABCB1 (0.45) MAPTHTTGAAPKMMEN1
SCHEMBL6493106 0.81 MAPT (0.54) MAPTHTTCYP1A2CYP3A4CYP2D6
SCHEMBL6496194 0.78 MAPT (0.43) MAPTHTTGAAMEN1KMT2A
SCHEMBL6833659 0.77 IDH1 (0.45) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6493899 0.74 MAPT (0.47) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL6494687 0.74 HDAC8 (0.44) MAPTKMT2AALDH1A1KDM4EHPGD
SCHEMBL6494541 0.74 MAPT (0.44) MAPTHTTCYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038943-A1 Indole and benzimidazole 15-lipoxygenase inhibitors CONNOR DAVID THOMAS (US) 2004-02-26 US 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 4865/4885HTT 1863/4885CYP1A2 90/4885

“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.