SCHEMBL13392961

SCHEMBL13392961

CC(C)(C)NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
HPGD P15428 3/20 0.74
LMNA P02545 2/20 0.74
NPSR1 Q6W5P4 4/20 0.73
TDP1 Q9NUW8 2/20 0.73
KDM4E B2RXH2 2/20 0.73
GAA P10253 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
HTT P42858 3/20 0.72
MAPT P10636 4/20 0.61
EEF2K O00418 10/20 0.55
KMT2A Q03164 2/20 0.53
POLB P06746 1/20 0.53
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL3166845 0.85 ALDH1A1 (0.79) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL429207 0.84 ALDH1A1 (1.00) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL13392917 0.84 ALDH1A1 (0.81) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL429444 0.83 ALDH1A1 (0.70) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL13941637 0.82 ALDH1A1 (0.96) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL13393359 0.82 ALDH1A1 (0.78) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL13392945 0.81 ALDH1A1 (0.73) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL2853029 0.76 ALDH1A1 (0.73) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL426621 0.76 MAPT (1.00) ALDH1A1HPGDLMNANPSR1TDP1
SCHEMBL22957838 0.76 ALDH1A1 (0.55) ALDH1A1HPGDLMNANPSR1TDP1

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-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-20100099672-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-04-22 US disclosed
US-7645881-B2 Such as tert-Butyl 3-amino-5-ethyl-4,6-dimethylthieno[2,3-B]pyridine-2-carboxylate which inhibits replication PTC THERAPEUTICS, INC. (US) 2010-01-12 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-20100099672-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 539/4885HPGD 1023/4885LMNA 3095/4885

“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.