SCHEMBL7239333

SCHEMBL7239333

N#CC(OC(=O)c1ccccc1)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C19 P33261 2/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
HIF1A Q16665 1/20 0.40
ESR1 P03372 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
SCHEMBL2453510 0.89 TSHR (0.52) TP53TSHRL3MBTL1KMT2ANPC1
SCHEMBL8964823 0.89 TSHR (0.52) TP53TSHRL3MBTL1KMT2ANPC1
SCHEMBL8263643 0.84 ALDH1A1 (0.44) KMT2ANCOA3ALDH1A1LMNASLC6A4
SCHEMBL7228870 0.83 CYP1A2 (0.52) L3MBTL1KMT2ANPC1RAB9AMEN1
SCHEMBL11170355 0.80 L3MBTL1 (0.45) TP53TSHRL3MBTL1KMT2ANPC1
SCHEMBL9738786 0.78 KMT2A (0.48) TP53TSHRKMT2ANPC1RAB9A
SCHEMBL7262891 0.77 CES2 (0.49) TP53TSHRKMT2ANPC1RAB9A
SCHEMBL8964973 0.77 MAPT (0.60) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL8965070 0.74 CES1 (0.49) KMT2AMEN1ALDH1A1ESR1ESR2
SCHEMBL10769769 0.74 TP53 (0.46) TP53TSHRL3MBTL1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US disclosed
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
US-5916891-A CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-06-29 US disclosed
US-5686455-A Imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-11-11 US disclosed
US-5656644-A CYTOKINE SUPPRESSORS SMITHKLINE BEECHAM CORPORATION (US) 1997-08-12 US disclosed
EP-0623126-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-09 EP disclosed
EP-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
EP-0321490-B1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BEECHAM CORP (US) 1994-06-22 EP disclosed
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 WO disclosed
US-5134150-A Administering diaryl-substituted imidazothiazoles; antiarthritic agents SMITHKLINE BEECHAM CORPORATION (US) 1992-07-28 US disclosed
EP-0321490-A4 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1990-05-14 EP disclosed
EP-0321490-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1989-06-28 EP disclosed
WO-1988001167-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
WO-1988001169-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed
EP-0011111-B1 5-(4-PYRIDYL)-6-(4-FLUOROPHENYL)-2,3-DIHYDROIMIDAZO-(2,1-B)-THIAZOLE, PROCESS FOR ITS PREPARATION AND MEDICAL COMPOSITION SMITHKLINE BECKMAN CORPORATION (US) 1982-09-22 EP disclosed
US-4175127-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1979-11-20 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-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 TP53 640/4885TSHR 3313/4885L3MBTL1 3052/4885

“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.