SCHEMBL4252164

SCHEMBL4252164

O=C(NCCOc1ccc(C(=S)NO)cc1)c1n[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
KDM4E B2RXH2 3/20 0.63
TSHR P16473 1/20 0.56
NPC1 O15118 5/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.51
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
MAPK10 P53779 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL444696 0.90 SMN1; SMN2 (0.67) SMN1; SMN2KDM4ETSHRNPC1RAB9A
SCHEMBL4251688 0.81 MAPT (0.58) SMN1; SMN2KDM4ENPC1RAB9AMEN1
SCHEMBL4250389 0.81 RAB9A (0.56) SMN1; SMN2TSHRNPC1RAB9AALDH1A1
SCHEMBL4257390 0.79 NPC1 (0.71) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL4251979 0.78 PDE10A (0.47) NPC1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL4252170 0.77 HDAC8 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MAPK1
SCHEMBL4253855 0.77 HDAC6 (0.47) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL4251122 0.77 KDM4E (0.55) KDM4EALDH1A1MAPK1GAAHSD17B10
SCHEMBL4252991 0.77 KMT2A (0.56) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL4251239 0.76 POLB (0.49) SMN1; SMN2TSHRNPC1RAB9AALDH1A1

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 SMN1; SMN2 3469/4885KDM4E 369/4885TSHR 2266/4885

“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.