SCHEMBL4896496

SCHEMBL4896496

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)N[C@@H](C)C(=O)N2CCOCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
AAK1 Q2M2I8 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALB P02768 1/20 0.37
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 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
SCHEMBL4895438 0.83 KDM4E (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4895424 0.83 KDM4E (0.41) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4893496 0.82 MAPT (0.41) ALDH1A1AAK1MAPTKMT2AMEN1
SCHEMBL4884281 0.79 KDM4E (0.44) ALDH1A1AAK1MAPTKMT2AMEN1
SCHEMBL21067812 0.79 ALDH1A1 (0.45) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4895027 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4884309 0.77 MAPT (0.40) ALDH1A1AAK1MAPTKMT2AMEN1
SCHEMBL4892038 0.77 SMN1; SMN2 (0.43) ALDH1A1AAK1MAPTKMT2ASMN1; SMN2
SCHEMBL4892981 0.76 KDM4E (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL14087761 0.76 SMN1; SMN2 (0.48) ALDH1A1MAPTSMN1; SMN2L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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
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 ALDH1A1 276/4885AAK1 3977/4885MAPT 3976/4885

“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.