SCHEMBL4894874

SCHEMBL4894874

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)c2cccs2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 4/20 0.53
NPC1 O15118 3/20 0.53
GAA P10253 1/20 0.49
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 1/20 0.46
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL14103275 0.91 KMT2A (0.52) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL4892026 0.89 RAB9A (0.49) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL4893013 0.87 MEN1 (0.48) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL14087731 0.83 POLB (0.46) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL14087733 0.83 POLB (0.48) KMT2ARAB9AMEN1GAAALDH1A1
SCHEMBL4882718 0.83 KDM4E (0.55) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL4893113 0.82 POLB (0.47) KMT2ARAB9AMEN1GAAALDH1A1
SCHEMBL4894528 0.81 MAPT (0.43) KMT2ARAB9AMEN1NPC1GAA
SCHEMBL4886327 0.81 POLB (0.46) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL4893232 0.80 PKM (0.45) KMT2AMEN1GAAKDM4EL3MBTL1

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 KMT2A 2650/4885RAB9A 2778/4885MEN1 3917/4885

“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.