SCHEMBL4892985

SCHEMBL4892985

C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CNC(=O)c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
LMNA P02545 3/20 0.49
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
SERPINE1 P05121 2/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4896087 0.88 HTT (0.64) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL4887551 0.87 ALDH1A1 (0.43) ALDH1A1NPSR1SMN1; SMN2KMT2AKDM4E
SCHEMBL4889408 0.87 KMT2A (0.45) ALDH1A1MAPTNPSR1KMT2AKDM4E
SCHEMBL4883870 0.87 ALDH1A1 (0.48) ALDH1A1NPSR1SMN1; SMN2LMNAKMT2A
SCHEMBL4892539 0.86 GAA (0.43) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL4892536 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2HTTKMT2APOLB
SCHEMBL14087769 0.83 ALDH1A1 (0.42) ALDH1A1NPSR1SMN1; SMN2LMNAKMT2A
SCHEMBL14087797 0.83 HPGD (0.43) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL14102810 0.83 KMT2A (0.45) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA
SCHEMBL4887003 0.82 HTT (0.57) ALDH1A1MAPTNPSR1SMN1; SMN2LMNA

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 276/4885MAPT 3976/4885NPSR1 2465/4885

“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.