SCHEMBL4736355

SCHEMBL4736355

NCCCC[C@H](NC(=O)Nc1cccc(Br)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
FPR2 P25090 4/20 0.50
FOLH1 Q04609 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HDAC4 P56524 2/20 0.46
MEF2D Q14814 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL4736364 1.00 NPSR1 (0.67) NPSR1FPR2FOLH1SMN1; SMN2ALDH1A1
SCHEMBL28216420 0.86 FOLH1 (0.61) FPR2FOLH1CA1CA2
SCHEMBL4887439 0.83 FOLH1 (0.48) NPSR1FPR2FOLH1SMN1; SMN2MAPK1
SCHEMBL4887449 0.83 FOLH1 (0.48) NPSR1FPR2FOLH1SMN1; SMN2MAPK1
SCHEMBL4889144 0.82 MAPK1 (0.49) NPSR1FOLH1SMN1; SMN2ALDH1A1POLB
SCHEMBL4889124 0.82 MAPK1 (0.49) NPSR1FOLH1SMN1; SMN2ALDH1A1POLB
SCHEMBL4735799 0.79 LTA4H (0.53) POLB
SCHEMBL4882585 0.79 LTA4H (0.53) POLB
SCHEMBL4735810 0.79 LTA4H (0.53) POLB
SCHEMBL4600162 0.78 CA1 (0.56) FPR2FOLH1ALDH1A1CA1CA2

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 NPSR1 1083/4885FPR2 3112/4885FOLH1 771/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH NPSR1 4506/4885FPR2 3738/4885FOLH1 1486/4885

“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.