SCHEMBL5604430

SCHEMBL5604430

CC(C)(C)[Si](C)(C)Oc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPT P10636 5/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 2/20 0.57
GAA P10253 2/20 0.57
EPHX1 P07099 2/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 2/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.45

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
SCHEMBL7544605 1.00 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL6823093 0.82 KMT2A (0.56) ALDH1A1SMN1; SMN2MAPTGAAEPHX1
SCHEMBL6823725 0.79 HTT (0.45) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL5604433 0.76 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL6823710 0.75 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL5594883 0.75 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL9687587 0.73 HTT (0.46) ALDH1A1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL11674249 0.73 MAPT (1.00) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E
SCHEMBL5078630 0.72 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTHPGDGAA
SCHEMBL7485596 0.71 CXCR2 (0.83) ALDH1A1SMN1; SMN2MAPTHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
EP-1185261-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-02-25 EP disclosed
US-20020128321-A1 IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-09-12 US disclosed
EP-1185261-A1 IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2002-03-13 EP disclosed
US-6262113-B1 HYDROXY- OR MERCAPTO-PHENYLUREAS SMITHKLINE BEECHAM CORPORATION 2001-07-17 US disclosed
US-6211373-B1 Phenyl urea antagonists of the IL-8 receptor SMITHKLINE BEECHAM CORPORATION 2001-04-03 US disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
WO-2000076495-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-21 WO disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
US-5780483-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-07-14 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 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 (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-20020128321-A1 IL-8 receptor antagonists CXCL8, CCR8, IL1RN ALDH1A1 2239/4885SMN1; SMN2 4507/4885MAPT 698/4885

“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.