SCHEMBL5505192

SCHEMBL5505192

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NS(=O)(=O)c6cccc([N+](=O)[O-])c6)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.55
AR P10275 1/20 0.45
HTR6 P50406 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MYD88 Q99836 1/20 0.43
MAPT P10636 1/20 0.42
PARP1 P09874 1/20 0.41
DHODH Q02127 1/20 0.41
KMT2A Q03164 1/20 0.41
PGR P06401 1/20 0.40
PLAU P00749 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL5508708 0.94 GNRHR (0.56) GNRHRMAPTPARP1DHODHDRD2
SCHEMBL5505945 0.90 GNRHR (0.61) GNRHRMAPTPARP1DHODHDRD2
SCHEMBL5511484 0.88 GNRHR (0.59) GNRHRMAPTPARP1DHODHDRD2
SCHEMBL6000853 0.88 GNRHR (0.60) GNRHRMAPTPARP1DHODHDRD2
SCHEMBL5505120 0.87 GNRHR (0.53) GNRHRARPARP1DHODHDRD2
SCHEMBL5508644 0.87 GNRHR (0.62) GNRHR
SCHEMBL5502838 0.87 GNRHR (0.64) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL6001418 0.86 GNRHR (0.57) GNRHR
SCHEMBL5510910 0.85 GNRHR (0.62) GNRHRPARP1DHODHDRD2DRD3
SCHEMBL5513430 0.85 GNRHR (0.62) GNRHRPARP1DHODHDRD2DRD3

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
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed
US-20060111355-A1 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2006-05-25 US claimed
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

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 GNRHR 1/4885AR 84/4885HTR6 399/4885

“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.