SCHEMBL4837771

SCHEMBL4837771

COc1ccc2c(c1)C(=CC(=O)c1ccc([N+](=O)[O-])cc1)NC(C)(C)S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
SNCA P37840 2/20 0.42
SCD O00767 2/20 0.42
HTT P42858 3/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KRAS P01116 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 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
SCHEMBL4837758 1.00 MAOA (0.47) MAOAMAOBMAPTALDH1A1NPC1
SCHEMBL4838315 0.90 HSP90AA1 (0.42) MAOBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL4838307 0.90 HSP90AA1 (0.42) MAOBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL4846384 0.86 SCD (0.38) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL4846371 0.86 SCD (0.38) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL14181780 0.86 NPC1 (0.41) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL4839829 0.84 SNCA (0.39) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL4839812 0.84 SNCA (0.39) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL4838516 0.83 MAPT (0.47) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL4838507 0.83 MAPT (0.47) MAPTALDH1A1NPC1SMN1; SMN2RAB9A

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.