SCHEMBL4251276

SCHEMBL4251276

O=C(NCC#Cc1ccc(C(=S)NO)cc1)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.60
L3MBTL1 Q9Y468 4/20 0.50
TP53 P04637 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
CNR1 P21554 2/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
ALOX15 P16050 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
PKM P14618 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL4815859 0.90 MAOB (0.63) MAOBL3MBTL1TP53HDAC3HDAC1
SCHEMBL4255518 0.85 ALDH1A1 (0.55) MAOBL3MBTL1TP53HDAC3HDAC1
SCHEMBL4256684 0.81 MASP2 (0.46) MAOBALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL4258440 0.81 HDAC1 (0.52) MAOBHDAC3HDAC1HDAC2RAB9A
SCHEMBL4255520 0.80 SMN1; SMN2 (0.51) L3MBTL1TP53HDAC3HDAC1HDAC2
SCHEMBL4250951 0.79 SOST (0.54) HDAC1HDAC2ALDH1A1LMNASMN1; SMN2
SCHEMBL4249438 0.78 HDAC3 (0.46) L3MBTL1HDAC3HDAC1HDAC2CNR2
SCHEMBL4819669 0.74 ALDH1A1 (0.58) MAOBL3MBTL1TP53HDAC3HDAC1
SCHEMBL4251739 0.74 ALOX15 (0.48) ALOX15SMN1; SMN2MAPT
SCHEMBL4250748 0.72 SMN1; SMN2 (0.49) L3MBTL1TP53HDAC3HDAC1HDAC2

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 MAOB 1435/4885L3MBTL1 1527/4885TP53 2008/4885

“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.