SCHEMBL5504511

SCHEMBL5504511

CCc1ccc(-c2nc3c(N4CCN(CCOc5ccc(NC(=O)c6cccs6)cc5)CC4)cccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.56
PARP1 P09874 2/20 0.46
DHODH Q02127 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APAF1 O14727 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PPARG P37231 1/20 0.44
RECQL P46063 1/20 0.44
SMAD3 P84022 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
DRD2 P14416 3/20 0.44
HTR1A P08908 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
SCHEMBL5510510 0.91 GNRHR (0.56) GNRHR
SCHEMBL5999615 0.90 GNRHR (0.61) GNRHRPARP1DHODHSMN1; SMN2MAPT
SCHEMBL5512568 0.89 GNRHR (0.63) GNRHRPARP1DHODHDRD2CDK2
SCHEMBL5511248 0.89 GNRHR (0.63) GNRHRPARP1DHODHDRD2CDK2
SCHEMBL5508675 0.89 GNRHR (0.55) GNRHRPARP1DHODHKMT2APOLB
SCHEMBL6001396 0.89 GNRHR (0.57) GNRHRPARP1DHODHDRD2HTR1A
SCHEMBL5508203 0.89 GNRHR (0.58) GNRHRPARP1DHODHDRD2CDK2
SCHEMBL5507824 0.88 GNRHR (0.62) GNRHRPARP1DHODHHPGDSMN1; SMN2
SCHEMBL5506315 0.88 GNRHR (0.61) GNRHRPARP1DHODHDRD2CDK2
SCHEMBL5508081 0.88 GNRHR (0.61) GNRHRPARP1DHODHDRD2CDK2

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 1/4885PARP1 3548/4885DHODH 2941/4885

“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.