SCHEMBL4893717

SCHEMBL4893717

COc1ccc(N(C(=O)CNC(=O)c2cccnc2N2CCOCC2)C(=O)N2C[C@H](C)C[C@H](C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.41
CHIA Q9BZP6 1/20 0.39
KMT2A Q03164 1/20 0.38
THRB P10828 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
PDE4B Q07343 1/20 0.36
PIK3CA P42336 1/20 0.36
P2RX7 Q99572 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
GAA P10253 1/20 0.36
BCL3 P20749 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
SCHEMBL4886348 0.80 KMT2A (0.48) L3MBTL1ALDH1A1KMT2ATHRBSMN1; SMN2
SCHEMBL4893712 0.79 MEN1 (0.45) L3MBTL1ALDH1A1CHIAKMT2ATHRB
SCHEMBL4892547 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AHPGDLMNASMN1; SMN2
SCHEMBL4882730 0.69 THRB (0.42) ALDH1A1KMT2ATHRBMAPTGAA
SCHEMBL4883922 0.68 RAB9A (0.50) ALDH1A1KMT2ATHRBMAPTHPGD
SCHEMBL4892647 0.67 KDM4E (0.45) L3MBTL1ALDH1A1KMT2AHPGDSMN1; SMN2
SCHEMBL4896093 0.66 KMT2A (0.46) L3MBTL1ALDH1A1KMT2AOPRK1HPGD
SCHEMBL18394741 0.66 CHIA (0.54) ALDH1A1CHIAKMT2AP2RX7SMN1; SMN2
SCHEMBL16105029 0.66 OPRK1 (0.61) ALDH1A1MAPTOPRK1LMNA
SCHEMBL29574622 0.64 KMT2A (0.65) L3MBTL1ALDH1A1CHIAKMT2ATP53

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 1 patent. 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

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 L3MBTL1 3221/4885ALDH1A1 276/4885CHIA 1691/4885

“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.