SCHEMBL14090858

SCHEMBL14090858

CC(=N)NCCC[C@H](NC(=O)c1ccc(-c2ccccc2)n(Cc2ccccc2)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.42
▸ TDP1 Q9NUW8 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KLK7 P49862 1/20 0.38
▸ KLK5 Q9Y337 1/20 0.38
▸ ATM Q13315 1/20 0.36
▸ SSTR2 P30874 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ CTSK P43235 1/20 0.36

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
SCHEMBL14090837 0.85 BRD4 (0.49) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL4433107 0.80 C3AR1 (0.40) —
SCHEMBL14090874 0.78 BRD4 (0.48) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL14090861 0.77 NPSR1 (0.42) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL14090848 0.76 BRD4 (0.39) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL14090845 0.76 BRD4 (0.53) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL14090857 0.75 NPSR1 (0.36) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL14090872 0.74 NPSR1 (0.46) NPSR1TDP1MEN1KMT2AMAPT
SCHEMBL14090883 0.73 BRD4 (0.52) MEN1KMT2AMAPTPOLBKDM4E
SCHEMBL14090868 0.73 NPSR1 (0.36) NPSR1TDP1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 — — 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 NPSR1 474/4885TDP1 3947/4885MEN1 2114/4885

“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.

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