SCHEMBL4847079

SCHEMBL4847079

COc1ccc2c(c1)C(=CC(=O)c1ccccc1[N+](=O)[O-])NC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.43
GFER P55789 1/20 0.43
HTT P42858 2/20 0.42
MEN1 O00255 3/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4847073 1.00 MAPT (0.43) MAPTKMT2AHPGDGAAGFER
SCHEMBL4839851 0.87 HTT (0.46) MAPTKMT2AGAAHTTMEN1
SCHEMBL4839861 0.87 HTT (0.46) MAPTKMT2AGAAHTTMEN1
SCHEMBL4842667 0.86 MAPT (0.43) MAPTKMT2AHPGDGAAHTT
SCHEMBL4842659 0.86 MAPT (0.43) MAPTKMT2AHPGDGAAHTT
SCHEMBL4842494 0.86 HTT (0.44) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL4842482 0.86 HTT (0.44) MAPTKMT2AHTTMEN1RAB9A
SCHEMBL4839878 0.86 MAPT (0.57) MAPTKMT2AHPGDGAAHTT
SCHEMBL4839862 0.86 MAPT (0.57) MAPTKMT2AHPGDGAAHTT
SCHEMBL4834681 0.85 MAPT (0.46) MAPTKMT2AHPGDGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MAPT 646/4885KMT2A 4642/4885HPGD 1185/4885

“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.