SCHEMBL5966476

SCHEMBL5966476

COC(=O)C(CCCN(C(=N)N)[N+](=O)[O-])NC(=O)[C@@H](CCCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.44
SSTR3 P32745 1/20 0.43
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MMP2 P08253 1/20 0.40
MMP7 P09237 1/20 0.40
LNPEP Q9UIQ6 2/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL5966561 0.91 NOS3 (0.46) MMP1MMP3MMP9NOS3NOS1
SCHEMBL5966480 0.90 BIRC2 (0.41) BIRC2SSTR3MMP1MMP3MMP9
SCHEMBL5966586 0.86 SSTR3 (0.47) BIRC2SSTR3NOS3NOS1NOS2
SCHEMBL5966588 0.86 SSTR3 (0.47) BIRC2SSTR3NOS3NOS1NOS2
SCHEMBL5966560 0.83 REN (0.47) SSTR3
SCHEMBL5966669 0.81 REN (0.44) BIRC2SSTR3MMP1MMP3MMP9
SCHEMBL5966524 0.80 ERAP1 (0.39) SSTR3LNPEPERAP2ERAP1
SCHEMBL5966522 0.80 ERAP1 (0.40) SSTR3LNPEPERAP2ERAP1
SCHEMBL5966484 0.79 BIRC2 (0.44) BIRC2SSTR3MMP1MMP3MMP9
SCHEMBL5966618 0.78 NOS3 (0.45) MMP1MMP3NOS3NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128613-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-06-15 US disclosed
EP-1409540-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2004-04-21 EP disclosed
WO-2002026774-A2 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 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-20060128613-A1 Melanocortin receptor ligands MC3R, MC4R, MC1R BIRC2 4708/4885SSTR3 11/4885MMP1 4271/4885

“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.