SCHEMBL4896576

SCHEMBL4896576

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CNC(=O)c2ccccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GRM5 P41594 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL4889408 0.90 KMT2A (0.45) NPSR1ALDH1A1MAPTGRM5KMT2A
SCHEMBL14087770 0.87 HTT (0.43) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4894528 0.86 MAPT (0.43) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL4896087 0.86 HTT (0.64) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4882720 0.83 HTT (0.50) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4886246 0.83 KDM4E (0.44) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4892479 0.82 KDM4E (0.44) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4887134 0.81 HPGD (0.47) HTTNPSR1ALDH1A1POLBMAPT
SCHEMBL4898676 0.81 KDM4E (0.50) HTTNPSR1ALDH1A1POLBLMNA
SCHEMBL4892636 0.81 LMNA (0.45) HTTNPSR1ALDH1A1POLBMAPT

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E HTT 2341/4885NPSR1 2465/4885ALDH1A1 276/4885

“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.