SCHEMBL5509147

SCHEMBL5509147

O=c1[nH]c(=O)c2cc(OCCCl)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ACSL1 P33121 2/20 0.39
▸ ACSL6 Q9UKU0 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ MAOB P27338 8/20 0.39
▸ MAOA P21397 3/20 0.39
▸ HRH3 Q9Y5N1 5/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL11841595 0.80 LMNA (0.48) KDM4EALDH1A1HPGDACSL1ACSL6
SCHEMBL14262265 0.79 KDM4E (0.44) SIGMAR1KDM4EALDH1A1HPGDMAOB
SCHEMBL1905327 0.77 KDM4E (0.62) KDM4EALDH1A1HPGDDYRK1AMAOA
SCHEMBL6469055 0.77 MAOA (0.64) KDM4EALDH1A1HPGDMAOBMAOA
SCHEMBL4958337 0.74 CA12 (0.54) KDM4EALDH1A1HPGDMAOBMAOA
SCHEMBL14262263 0.74 CA12 (0.54) SIGMAR1KDM4EALDH1A1HPGDMAOB
SCHEMBL7029278 0.74 PDE3B (0.54) KDM4EALDH1A1HPGD
SCHEMBL14262266 0.73 HDAC1 (0.52) SIGMAR1KDM4EALDH1A1HPGDDYRK1A
SCHEMBL27767737 0.72 MAOB (0.68) SIGMAR1MAOBMAOABCHEACHE
SCHEMBL30594168 0.72 TSHR (0.62) KDM4EALDH1A1HPGDDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 — — EP disclosed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 — — WO disclosed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 — — US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 — — 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-20060111355-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, LHCGR, GHRHR SIGMAR1 745/4885KDM4E 3078/4885ALDH1A1 4644/4885

“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.

Send feedback