SCHEMBL4251124

SCHEMBL4251124

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cc2c(C(F)(F)F)cccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.41
NPC1 O15118 5/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
HDAC3 O15379 5/20 0.39
HDAC4 P56524 5/20 0.39
HDAC1 Q13547 5/20 0.39
HDAC7 Q8WUI4 5/20 0.39
HDAC2 Q92769 5/20 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
SCHEMBL445464 0.91 NPC1 (0.44) SLC9A1NPC1RAB9APOLBCASP3
SCHEMBL4252262 0.82 HDAC1 (0.52) NPC1RAB9APOLBCASP3SENP7
SCHEMBL4252220 0.81 SLC9A1 (0.42) SLC9A1LMNAALDH1A1HDAC3HDAC4
SCHEMBL4251113 0.79 RAB9A (0.57) RAB9APOLBHDAC3HDAC4HDAC1
SCHEMBL5794058 0.79 SLC9A1 (0.45) SLC9A1NPC1RAB9APOLBHTT
SCHEMBL4253298 0.78 HDAC1 (0.45) NPC1RAB9APOLBLMNAALDH1A1
SCHEMBL4248121 0.76 LMNA (0.65) NPC1RAB9APOLBHTTHPGD
SCHEMBL4249825 0.76 HDAC1 (0.48) NPC1RAB9AHPGDALDH1A1HDAC3
SCHEMBL4255195 0.76 NPC1 (0.51) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL4249835 0.76 CLK1 (0.58) NPC1HDAC1

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 SLC9A1 2009/4885NPC1 1960/4885RAB9A 3763/4885

“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.