SCHEMBL4838804

SCHEMBL4838804

CCCC(=O)Nc1cccc(C(=O)C=C2NC(C)(C)Cc3ccc(OC)cc32)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 7/20 0.47
MTNR1A P48039 4/20 0.44
TP53 P04637 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CASP3 P42574 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
SCHEMBL4838794 1.00 MTNR1B (0.47) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4844392 0.95 ALDH1A1 (0.48) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4844404 0.95 ALDH1A1 (0.48) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4839063 0.94 ALDH1A1 (0.46) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4839053 0.94 ALDH1A1 (0.46) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4834795 0.94 TP53 (0.42) MTNR1BTP53RXFP1ALDH1A1NPC1
SCHEMBL4834808 0.94 TP53 (0.42) MTNR1BTP53RXFP1ALDH1A1NPC1
SCHEMBL4842647 0.93 ALDH1A1 (0.45) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4843158 0.93 ALDH1A1 (0.45) MTNR1BMTNR1ATP53RXFP1ALDH1A1
SCHEMBL4843171 0.93 ALDH1A1 (0.45) MTNR1BMTNR1ATP53RXFP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MTNR1B 410/4885MTNR1A 312/4885TP53 2237/4885

“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.