SCHEMBL4257124

SCHEMBL4257124

O=C(NCCOc1ccc(C(=S)NO)cc1)c1nc(-c2ccncc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 3/20 0.42
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
LMNA P02545 3/20 0.38
GRM1 Q13255 1/20 0.38
MAPT P10636 2/20 0.38
HDAC6 Q9UBN7 2/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
STAT3 P40763 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL4251090 0.92 MAPK1 (0.46) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL445896 0.92 NPC1 (0.49) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL4247842 0.89 NPC1 (0.46) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL445187 0.83 MAPT (0.52) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL443783 0.81 NPC1 (0.52) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL4255520 0.78 SMN1; SMN2 (0.51) NPC1SMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL445221 0.78 MAPT (0.50) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL4250976 0.75 NPC1 (0.54) NPC1SMN1; SMN2RAB9AHDAC6HDAC2
SCHEMBL4252991 0.74 KMT2A (0.56) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL4248121 0.74 LMNA (0.65) NPC1SMN1; SMN2RAB9AKDM4EALDH1A1

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 1960/4885SMN1; SMN2 3469/4885RAB9A 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.