SCHEMBL4994050

SCHEMBL4994050

COC(=O)c1cccn(Cc2ccccc2-c2ccc(F)cc2)c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.60
SLC6A4 P31645 2/20 0.60
MAPT P10636 5/20 0.50
LMNA P02545 3/20 0.50
LIPG Q9Y5X9 1/20 0.48
TP53 P04637 3/20 0.48
RXFP1 Q9HBX9 2/20 0.48
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
KCNA5 P22460 1/20 0.44
KCNH2 Q12809 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
BRD4 O60885 1/20 0.43

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
SCHEMBL4438770 0.92 MAPT (0.53) SLC6A3SLC6A4MAPTLMNATP53
SCHEMBL4986221 0.85 LIPG (0.49) SLC6A3SLC6A4MAPTLMNALIPG
SCHEMBL4993706 0.85 SLC6A3 (0.60) SLC6A3SLC6A4MAPTLMNATP53
SCHEMBL4817512 0.81 CNR1 (0.59) MAPTLMNAKDM4EALDH1A1MEN1
SCHEMBL4992594 0.81 MAPT (0.49) MAPTLMNATP53RXFP1KDM4E
SCHEMBL4997088 0.79 ALDH1A1 (0.57) MAPTLMNATP53RXFP1KDM4E
SCHEMBL4986527 0.77 BRD4 (0.47) MAPTLMNATP53RXFP1KDM4E
SCHEMBL4553728 0.77 MAPK8 (0.53) MAPTLMNATP53RXFP1KDM4E
SCHEMBL4987882 0.77 BRD4 (0.57) MAPTLMNATP53RXFP1KDM4E
SCHEMBL4991532 0.77 LMNA (0.48) MAPTLMNATP53RXFP1KDM4E

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 SLC6A3 4352/4885SLC6A4 3875/4885MAPT 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.