SCHEMBL4835335

SCHEMBL4835335

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)c1)NC(C)(C)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.49
CTNNB1 P35222 2/20 0.49
ALDH1A1 P00352 6/20 0.47
LMNA P02545 5/20 0.47
KMT2A Q03164 4/20 0.47
HTT P42858 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.45
CYP19A1 P11511 1/20 0.43
PKM P14618 2/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4835345 1.00 TCF4 (0.49) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4843851 0.94 TCF4 (0.48) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4843842 0.94 TCF4 (0.48) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4844620 0.93 TCF4 (0.47) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4844632 0.93 TCF4 (0.47) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4841971 0.92 MEN1 (0.47) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4841981 0.92 MEN1 (0.47) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4842103 0.91 POLB (0.45) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4842084 0.91 POLB (0.45) TCF4CTNNB1ALDH1A1LMNAKMT2A
SCHEMBL4840091 0.91 TCF4 (0.46) TCF4CTNNB1ALDH1A1LMNAKMT2A

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 TCF4 2483/4885CTNNB1 2100/4885ALDH1A1 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.