SCHEMBL20176403

SCHEMBL20176403

COC(=O)c1sc(N2CCCCC2)nc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.51
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
GAA P10253 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL16404868 0.83 PIK3CD (0.72) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL8738721 0.81 PIK3CD (0.56) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL13787617 0.81 PIK3CD (0.74) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
Hydrochloric Acid SCHEMBL6113991 0.80 PIK3CD (0.55) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL21875361 0.79 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL17452584 0.77 PIK3CD (0.52) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL20229568 0.77 PIK3CD (0.52) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
SCHEMBL13329792 0.76 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2GAAKDM4E
SCHEMBL8738724 0.76 PIK3CD (0.51) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT
Bromide SCHEMBL6113981 0.75 PIK3CD (0.50) ALDH1A1PIK3CDPIK3CAPIK3CBMAPT

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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2018-05-24 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-20180141923-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 ALDH1A1 1155/4885PIK3CD 2084/4885PIK3CA 2411/4885

“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.