SCHEMBL6478272

SCHEMBL6478272

NC(Cc1ccccc1)N1C(=O)C(Cc2c(F)cccc2F)NN(c2ccccc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
GNRHR P30968 7/20 0.31
ROCK2 O75116 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL6477952 0.63 GNRHR (0.52) GNRHRLMNA
SCHEMBL6478281 0.62 GNRHR (0.50) GNRHRLMNA
SCHEMBL5924622 0.55 SMN1; SMN2 (0.34) LMNA
SCHEMBL3280996 0.53 EPHX1 (0.50) CYP1A2
SCHEMBL11015096 0.53 KDM4E (0.46) LMNA
SCHEMBL14415699 0.52 HTR2A (0.61)
SCHEMBL188588 0.52 SLC7A5 (0.55) CYP1A2CYP3A4LMNA
SCHEMBL188587 0.52 SLC7A5 (0.55) CYP1A2CYP3A4LMNA
SCHEMBL20514005 0.52 SLC7A5 (0.55) CYP1A2CYP3A4LMNA
SCHEMBL12610952 0.52 DRD4 (0.51)

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
US-6951858-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-04 US disclosed
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-04-07 US disclosed
US-6673796-B2 SEXUAL DISORDERS NEUROCRINE BIOSCIENCES, INC. 2004-01-06 US disclosed
US-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2003-06-19 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 (2 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-20030114455-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR CES2 1475/4885CYP1A2 1158/4885CYP3A4 1088/4885
US-20050075339-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, LHCGR, GHRHR CES2 1350/4885CYP1A2 1120/4885CYP3A4 1352/4885

“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.