SCHEMBL14090857

SCHEMBL14090857

CC(=N)NCCC[C@H](NC(=O)c1cccn(-c2ccc3ccccc3c2)c1=O)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 8/20 0.36
▸ TDP1 Q9NUW8 5/20 0.36
▸ MAPT P10636 5/20 0.36
▸ MEN1 O00255 6/20 0.36
▸ KMT2A Q03164 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ ATM Q13315 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ POLR1A O95602 1/20 0.34
▸ TGM2 P21980 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14090848 0.86 BRD4 (0.39) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL14090837 0.80 BRD4 (0.49) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL4989893 0.80 C3AR1 (0.42) KCNH2POLR1ATGM2
SCHEMBL14090861 0.79 NPSR1 (0.42) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL14090868 0.76 NPSR1 (0.36) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL14090856 0.76 C3AR1 (0.40) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL14090858 0.75 NPSR1 (0.42) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL14090986 0.73 NPSR1 (0.44) NPSR1TDP1MAPTMEN1KMT2A
SCHEMBL14090865 0.71 CA1 (0.37) KMT2AALDH1A1KDM4EPKM
SCHEMBL14090845 0.71 BRD4 (0.53) MAPTMEN1KMT2APOLBKDM4E

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 3947/4885MAPT 4654/4885

“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.

Send feedback