SCHEMBL3274859

SCHEMBL3274859

CC(C)(O)CSc1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.51
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 3/20 0.39
MAOB P27338 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CTSK P43235 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
RIPK1 Q13546 1/20 0.34
TP53BP1 Q12888 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL1710315 0.83 MAOA (0.49) MAOACA1CA2CA4CA7
SCHEMBL4200330 0.81 MAOA (0.50) MAOACA1CA2CA4CA7
SCHEMBL1710889 0.80 MAOA (0.46) MAOACA1CA2CA4CA7
SCHEMBL27016849 0.79 MAOA (0.47) MAOACA1CA2CA4CA7
SCHEMBL27016721 0.79 MAOA (0.47) MAOACA1CA2CA4CA7
SCHEMBL3491068 0.77 SMN1; SMN2 (0.46) MAOACA2MAPTMAOBALDH1A1
SCHEMBL98008 0.77 ALDH1A1 (0.48) MAOAMAOBALDH1A1MAPK1GAA
SCHEMBL31299577 0.75 MAOA (0.59) MAOACA1CA2CA4CA7
SCHEMBL100217 0.75 MAOA (0.59) MAOACA1CA2CA4CA7
SCHEMBL677696 0.75 MAOA (0.47) MAOACA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
CN-101006078-A Gonadotropin releasing hormone receptor antagonists WYETH CORP (US) 2007-07-25 CN disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060019965-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-01-26 US disclosed
WO-2006009734-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-01-26 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-20060019965-A1 Gonadotropin releasing hormone receptor antagonists GNRHR, GHRHR, LHCGR MAOA 3516/4885CA1 2136/4885CA2 1557/4885

“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.