SCHEMBL4247486

SCHEMBL4247486

O=C(NCCOc1ccc(C(=S)NO)cc1)c1cccc(Br)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.47
CHRNA4 P43681 2/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 7/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CNR1 P21554 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL443934 0.90 CHRNB2 (0.53) CHRNB2CHRNA4MAPTL3MBTL1HPGD
SCHEMBL4250397 0.89 MAPT (0.47) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL4252991 0.84 KMT2A (0.56) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL4252356 0.82 NPC1 (0.42) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL4251732 0.82 MAPT (0.41) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL4251738 0.82 HDAC3 (0.45) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL4253304 0.82 MAPT (0.71) MAPTL3MBTL1HPGDALDH1A1NPC1
SCHEMBL4255378 0.81 KMT2A (0.48) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL4247509 0.81 MAPT (0.48) MAPTL3MBTL1HPGDNPC1RAB9A
SCHEMBL4252430 0.80 NPC1 (0.53) HPGDNPC1RAB9ASMN1; SMN2HDAC3

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 CHRNB2 4314/4885CHRNA4 4317/4885MAPT 2673/4885

“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.