SCHEMBL4844226

SCHEMBL4844226

COc1ccc2c(c1)C(=CC(=O)c1ccc([N+](=O)[O-])cc1)NC(C)(C)C2O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MAPT P10636 6/20 0.44
ALDH1A1 P00352 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
AHR P35869 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KRAS P01116 1/20 0.39
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL4844220 1.00 MAOA (0.46) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL4841011 0.91 HSP90AA1 (0.44) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL4841025 0.91 HSP90AA1 (0.44) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL4839837 0.87 HSP90AA1 (0.39) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL4839825 0.87 HSP90AA1 (0.39) MAOBMAPTALDH1A1NPC1RAB9A
SCHEMBL4835389 0.84 KMT2A (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4835401 0.84 KMT2A (0.38) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4842244 0.81 MAOB (0.49) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL4837758 0.79 MAOA (0.47) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL4847138 0.79 MAOA (0.47) MAOAMAOBMAPTALDH1A1NPC1

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 MAOA 967/4885MAOB 566/4885MAPT 646/4885

“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.