SCHEMBL6166550

SCHEMBL6166550

O=C(C(=NO)c1ccncc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
GAA P10253 4/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 3/20 0.52
PLOD2 O00469 1/20 0.52
PLOD3 O60568 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
PLOD1 Q02809 1/20 0.52
HIF1A Q16665 1/20 0.52
NAPRT Q6XQN6 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6166547 1.00 KMT2A (0.57) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL8920530 1.00 KMT2A (0.57) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL12997589 0.88 GAA (0.65) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL4353902 0.88 GAA (0.65) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL17302028 0.86 KMT2A (0.56) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL11815802 0.82 GAA (0.56) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL2476811 0.82 ALDH1A1 (0.56) KMT2AMEN1GAACYP2C19ALDH1A1
SCHEMBL7051206 0.82 LTA4H (0.59) KMT2AMEN1GAAALDH1A1CYP3A4
SCHEMBL5196405 0.82 CES2 (0.50) KMT2AMEN1ALDH1A1NAPRTCES2
SCHEMBL10921132 0.82 GAA (0.56) KMT2AMEN1GAACYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943616-B1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORP (US) 2005-05-04 EP disclosed
EP-0623126-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
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
US-6645989-B2 Antiinflammatory agents SMITHKLINE BEECHAM CORPORATION 2003-11-11 US disclosed
EP-1306377-A2 Pyridyl-oxazoles and their use as cytokines inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2003-05-02 EP disclosed
US-20030064997-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2003-04-03 US 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
US-6268370-B1 CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2001-07-31 US disclosed
EP-0943616-A1 Substituted imidazole derivatives and their use as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1999-09-22 EP 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
WO-1993014081-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-07-22 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 (3 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 KMT2A 4725/4885MEN1 2711/4885GAA 955/4885
US-20030064997-A1 Novel compounds BRD4, BRDT, HDAC6 KMT2A 2124/4885MEN1 3003/4885GAA 1086/4885
US-20020169173-A1 Oxazoles for treating cytokine mediated diseases IL17A, IL4I1, IL2 KMT2A 4818/4885MEN1 2842/4885GAA 389/4885

“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.