SCHEMBL6707541

SCHEMBL6707541

[C-]#[N+]C(Sc1ccc(C)cc1)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
ATM Q13315 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA7 P36544 1/20 0.34
TSHR P16473 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
SERPINH1 P50454 1/20 0.33

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
SCHEMBL7460689 0.89 ACHE (0.38) ACHEATMMEN1KMT2AGAA
SCHEMBL6421012 0.73 SLC6A2 (0.32) ACHETDP1
SCHEMBL8487888 0.71 ATM (0.43) ACHEATMMEN1KMT2AGAA
SCHEMBL21831189 0.69 ACHE (0.62) ACHEATMMEN1KMT2ANFE2L2
SCHEMBL20868149 0.68 ACHE (0.68) ACHEMEN1KMT2AGAANFE2L2
SCHEMBL7938033 0.68 ACHE (0.68) ACHEATMMEN1KMT2AGAA
SCHEMBL7025938 0.67
SCHEMBL12689 0.67
SCHEMBL2680435 0.66 ACHE (0.65) ACHEMEN1KMT2AGAANFE2L2
SCHEMBL18925493 0.65 ACHE (0.62) ACHEMEN1KMT2ANFE2L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106793-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2004-06-03 US disclosed
EP-0727998-B1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 2004-01-21 EP disclosed
EP-1306377-A2 Pyridyl-oxazoles and their use as cytokines inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2003-05-02 EP disclosed
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases SMITHKLINE BEECHAM CORPORATION 2002-11-14 US disclosed
US-6288062-B1 INTERLEUKIN AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM DISORDERS SMITHKLINE BEECHAM CORPORATION 2001-09-11 US disclosed
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 WO 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 (2 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-20040106793-A1 Oxazoles for treating cytokine mediated diseases IL2, IL17A, IL5 ACHE 4501/4885ATM 4251/4885MEN1 2711/4885
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases IL17A, IL4I1, IL2 ACHE 4409/4885ATM 3891/4885MEN1 2842/4885

“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.