SCHEMBL4840963

SCHEMBL4840963

COc1ccc2c(c1)C(=CC(=O)c1ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc1)NC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
P4HB P07237 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 5/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PLAU P00749 2/20 0.41
ALOX12 P18054 1/20 0.40
POLB P06746 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
SCHEMBL4840956 1.00 SMN1; SMN2 (0.43) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4844353 0.92 LMNA (0.44) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL4844339 0.92 LMNA (0.44) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL4841971 0.91 MEN1 (0.47) SMN1; SMN2MAPTALDH1A1P4HBGAA
SCHEMBL4841981 0.91 MEN1 (0.47) SMN1; SMN2MAPTALDH1A1P4HBGAA
SCHEMBL4834513 0.90 PPIA (0.47) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL4834505 0.90 PPIA (0.47) SMN1; SMN2MAPTALDH1A1GAAMEN1
SCHEMBL4847125 0.90 MAOA (0.47) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4847138 0.90 MAOA (0.47) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4844730 0.89 PLAU (0.48) SMN1; SMN2ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 144/4885MAPT 646/4885ALDH1A1 2636/4885

“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.