SCHEMBL4884232

SCHEMBL4884232

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)NCc2ccncc2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.46
HTT P42858 2/20 0.45
NAMPT P43490 8/20 0.45
KDM4E B2RXH2 1/20 0.41
P2RX7 Q99572 1/20 0.39

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
SCHEMBL14103622 0.90 ALDH1A1 (0.45) ALDH1A1GAAHTTNAMPTKDM4E
SCHEMBL4887300 0.90 CFD (0.49) ALDH1A1GAAHTTKDM4E
SCHEMBL4887422 0.89 NAMPT (0.54) ALDH1A1NAMPTKDM4E
SCHEMBL4883875 0.87 HDAC1 (0.40) ALDH1A1HTTNAMPTKDM4E
SCHEMBL4896179 0.84 RAB9A (0.58) ALDH1A1GAAKDM4E
SCHEMBL4889436 0.82 NPC1 (0.40) ALDH1A1GAAHTTKDM4E
SCHEMBL4893146 0.82 EPHX2 (0.44) ALDH1A1HTTNAMPTKDM4E
SCHEMBL4892221 0.81 ALDH1A1 (0.48) ALDH1A1HTTKDM4E
SCHEMBL4892975 0.81 CYP1A2 (0.50) ALDH1A1GAAHTTKDM4E
SCHEMBL4889541 0.80 KDM4E (0.42) ALDH1A1GAAHTTKDM4E

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 ALDH1A1 276/4885GAA 1626/4885HTT 2341/4885

“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.