SCHEMBL4253304

SCHEMBL4253304

O=C(NCCOc1ccc(C(=S)NO)cc1)c1ccc2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
ALDH1A1 P00352 3/20 0.60
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
ATM Q13315 2/20 0.58
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC8 Q9BY41 2/20 0.50
KDM4C Q9H3R0 1/20 0.48
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL442609 0.90 MAPT (0.75) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4250281 0.87 NPC1 (0.53) MAPTL3MBTL1HPGDSMN1; SMN2NPC1
SCHEMBL4247509 0.83 MAPT (0.48) MAPTL3MBTL1HPGDSMN1; SMN2NPC1
SCHEMBL4258464 0.83 MAPT (0.49) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4252430 0.83 NPC1 (0.53) HPGDSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL4250397 0.82 MAPT (0.47) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4247486 0.82 CHRNB2 (0.47) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4252991 0.82 KMT2A (0.56) MAPTL3MBTL1ALDH1A1HPGDSMN1; SMN2
SCHEMBL4248905 0.82 NPC1 (0.51) MAPTL3MBTL1HPGDSMN1; SMN2NPC1
SCHEMBL4254739 0.81 BRD4 (0.49) MAPTL3MBTL1ALDH1A1HPGDNPC1

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 MAPT 2673/4885L3MBTL1 1527/4885ALDH1A1 601/4885

“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.