SCHEMBL4839713

SCHEMBL4839713

COc1ccc2c(c1)C(=CC(=O)c1cccc(NS(=O)(=O)C(C)C)c1)NC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.38
HTT P42858 3/20 0.38
TCF4 P15884 1/20 0.38
CTNNB1 P35222 1/20 0.38
LMNA P02545 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 3/20 0.35

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
SCHEMBL4839696 1.00 KMT2A (0.42) KMT2AMAPTHTTTCF4CTNNB1
SCHEMBL4842103 0.91 POLB (0.45) KMT2AMAPTHTTTCF4CTNNB1
SCHEMBL4842084 0.91 POLB (0.45) KMT2AMAPTHTTTCF4CTNNB1
SCHEMBL4845995 0.90 LMNA (0.39) KMT2AMAPTHTTLMNAALDH1A1
SCHEMBL4846008 0.90 LMNA (0.39) KMT2AMAPTHTTLMNAALDH1A1
SCHEMBL4835335 0.86 TCF4 (0.49) KMT2AMAPTHTTTCF4CTNNB1
SCHEMBL4835345 0.86 TCF4 (0.49) KMT2AMAPTHTTTCF4CTNNB1
SCHEMBL4844822 0.86 MAPT (0.44) KMT2AMAPTHTTLMNAALDH1A1
SCHEMBL4844801 0.86 MAPT (0.44) KMT2AMAPTHTTLMNAALDH1A1
SCHEMBL4842576 0.86 KMT2A (0.40) KMT2AMAPTHTTTCF4CTNNB1

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 KMT2A 4642/4885MAPT 646/4885HTT 2525/4885

“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.