SCHEMBL4258405

SCHEMBL4258405

Cc1ccc(F)c2oc(C(=O)NCCOc3ccc(C(=S)NO)cc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39

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
SCHEMBL445815 0.91 NPC1 (0.48) NPC1HPGDALDH1A1MAPK1MEN1
SCHEMBL4255704 0.89 NPC1 (0.44) NPC1HPGDALDH1A1MAPK1MEN1
SCHEMBL4247162 0.85 SMN1; SMN2 (0.46) NPC1HPGDMEN1KMT2ATSHR
SCHEMBL4258436 0.83 HPGD (0.51) NPC1HPGDALDH1A1MAPK1MEN1
SCHEMBL447517 0.80 NPC1 (0.49) NPC1HPGDALDH1A1MAPK1MEN1
SCHEMBL4247491 0.77 NPC1 (0.51) NPC1HPGDALDH1A1MAPK1MEN1
SCHEMBL4252213 0.77 HPGD (0.55) NPC1HPGDALDH1A1MAPK1MEN1
SCHEMBL443372 0.76 HDAC3 (0.42) NPC1HPGDALDH1A1MEN1KMT2A
SCHEMBL444652 0.76 SMN1; SMN2 (0.48) NPC1HPGDMEN1KMT2ATSHR
SCHEMBL4248678 0.76 HPGD (0.52) NPC1HPGDALDH1A1MAPK1MEN1

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 NPC1 1960/4885HPGD 351/4885ALDH1A1 601/4885

“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.