SCHEMBL5584015

SCHEMBL5584015

Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)sc1C(=O)C=CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 7/20 0.45
POLB P06746 3/20 0.39
HPGD P15428 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
JAK2 O60674 1/20 0.31
EGFR P00533 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
RECQL P46063 1/20 0.31
PAX8 Q06710 1/20 0.30

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
SCHEMBL211035 1.00 ALDH1A1 (0.48) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL210860 0.80 DHODH (0.38) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL20452073 0.80 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL4159119 0.80 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL212100 0.77 LCK (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL26058046 0.75 APEX1 (0.37) PAX8
SCHEMBL4161633 0.75 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL2076090 0.73 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL14955176 0.73 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL24410214 0.73 USP30 (0.33) PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 ALDH1A1 758/4885RAB9A 3239/4885SMN1; SMN2 2705/4885

“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.