SCHEMBL4842562

SCHEMBL4842562

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NS(=O)(=O)c3c(F)cccc3F)c1)NC(C)(C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
LMNA P02545 8/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.37
HSD11B1 P28845 1/20 0.37
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
NPC1 O15118 1/20 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
SCHEMBL4842576 1.00 KMT2A (0.40) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4841681 0.93 LMNA (0.39) KMT2ALMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4841676 0.93 LMNA (0.39) KMT2ALMNAALDH1A1SMN1; SMN2HTT
SCHEMBL4844095 0.89 LMNA (0.45) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4844083 0.89 LMNA (0.45) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4842103 0.89 POLB (0.45) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4842084 0.89 POLB (0.45) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4835345 0.88 TCF4 (0.49) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4835335 0.88 TCF4 (0.49) KMT2ATCF4CTNNB1LMNAALDH1A1
SCHEMBL4838227 0.87 SMN1; SMN2 (0.48) KMT2ALMNAALDH1A1SMN1; SMN2MEN1

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 4642/4885TCF4 2483/4885CTNNB1 2100/4885

“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.