SCHEMBL2551779

SCHEMBL2551779

CCCCOC(=O)NC(C)[O]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACHE P22303 9/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3631820 0.86 EPHX1 (0.48) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL8382659 0.86 EPHX1 (0.52) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL27756824 0.84 EPHX1 (0.50) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL5128756 0.84 EPHX1 (0.50) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL6137211 0.82 EPHX1 (0.48) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL6033535 0.82 EPHX1 (0.48) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL18507224 0.82 EPHX1 (0.48) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL8216997 0.82 EPHX1 (0.48) EPHX1ATMSMN1; SMN2HPGDNPC1
SCHEMBL7556363 0.82 RAB9A (0.51) EPHX1SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL459573 0.81 EPHX1 (0.47) EPHX1ATMSMN1; SMN2HPGDNPC1

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
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 WO disclosed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 US disclosed
EP-1558582-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2005-08-03 EP disclosed
WO-2005012254-A1 DIARYL AND ARYLHETEROARYL UREA DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERTO ARENA PHARMACEUTICALS, INC. (US) 2005-02-10 WO disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 EP disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 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-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 EPHX1 3363/4885ATM 403/4885SMN1; SMN2 3075/4885

“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.