Sugi Predict

Sugi Predict / Compounds / SCHEMBL4987746

SCHEMBL4987746

SCHEMBL4987746

CCCSc1nccc(C=O)n1.C[C@H](N)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.40
▸ ALOX15 P16050 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HASPIN Q8TF76 1/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADORA3 P0DMS8 4/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32

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
SCHEMBL4109091 0.87 HASPIN (0.37) KMT2AALOX15HASPINL3MBTL1NPSR1
SCHEMBL7048936 0.86 MAPT (0.40) KMT2AALOX15CYP1A2HTTHSD17B10
SCHEMBL6948055 0.79 KMT2A (0.36) KMT2AALOX15CYP1A2HTTHSD17B10
SCHEMBL5045978 0.76 GPR84 (0.50) KMT2AHTTHSD17B10HASPINL3MBTL1
SCHEMBL8752016 0.69 NPSR1 (0.36) KMT2AALOX15L3MBTL1NPSR1LMNA
SCHEMBL25239244 0.67 HASPIN (0.46) KMT2AHTTHSD17B10HASPINL3MBTL1
SCHEMBL6135340 0.67 HPGD (0.40) KMT2AALOX15HASPINNPSR1LMNA
SCHEMBL1879639 0.66 KMT2A (0.40) KMT2AALOX15HTTNPSR1LMNA
SCHEMBL17371365 0.65 ALOX15 (0.57) KMT2AALOX15LMNAPOLBMAPT
SCHEMBL4973497 0.64 L3MBTL1 (0.58) KMT2AALOX15HSD17B10HASPINL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114010-A1 Novel Substituted Imidazole Compounds SMITHKLINE BEECHAM CORPORATION 2008-05-15 — — US disclosed
US-7301021-B2 Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-11-27 — — US disclosed
EP-1014976-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-03-02 — — EP disclosed
US-20030114452-A1 Novel substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2003-06-19 — — US disclosed
US-20030069243-A1 Novel substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2003-04-10 — — US disclosed
US-6489325-B1 INHIBITORS OF CSBP/P38, ONE OF SEVERAL KINASES INVOLVED IN A STRESS-RESPONSE SIGNAL TRANSDUCTION, DECREASE THE SYNTHESIS OF A WIDE VARIETY OF PRO-INFLAMMATORY PROTEINS INCLUDING, IL-6, IL-8, GM-CSF, AND COX-2 SMITHKLINE BEECHAM CORPORATION 2002-12-03 — — 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 (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-20030114452-A1 Novel substituted imidazole compounds CREBBP, MAPKAPK2, ATF1 KMT2A 2558/4885ALOX15 4841/4885CYP1A2 4738/4885
US-20080114010-A1 Novel Substituted Imidazole Compounds CREBBP, MAPKAPK2, ATF1 KMT2A 2558/4885ALOX15 4841/4885CYP1A2 4738/4885
US-20030069243-A1 Novel substituted imidazole compounds CREBBP, MAPKAPK2, CDC42BPB KMT2A 2737/4885ALOX15 4827/4885CYP1A2 4723/4885

“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.