SCHEMBL4408705

SCHEMBL4408705

O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2csc(C(=O)O)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
MAPT P10636 7/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TP53 P04637 3/20 0.57
ATM Q13315 1/20 0.57
PKM P14618 1/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.54
DGAT1 O75907 2/20 0.53
HDAC3 O15379 1/20 0.52
JAK2 O60674 1/20 0.52
NCOR1 O75376 1/20 0.52
JAK1 P23458 1/20 0.52
TYK2 P29597 1/20 0.52
JAK3 P52333 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52

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
SCHEMBL13594992 0.95 HDAC8 (0.65) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL4410089 0.89 SMN1; SMN2 (0.55) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL4411743 0.87 MAPK14 (0.66) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL4406818 0.86 RAB9A (0.55) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL13594979 0.83 RAB9A (0.60) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL5585498 0.83 MAPT (0.60) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL13594984 0.82 RAB9A (0.52) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL13594978 0.82 RAB9A (0.52) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL14601435 0.80 LMNA (0.53) HDAC8HDAC6MAPTNPC1RAB9A
SCHEMBL24107788 0.80 PHGDH (0.71) MAPTMAPK1LMNAALDH1A1PHGDH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US claimed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
US-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. 2009-12-24 US disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 WO disclosed
WO-2008154601-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE GENELABS TECHNOLOGIES, INC. (US) 2008-12-18 WO 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-20090317360-A1 ANTI-VIRAL INHIBITORS AND METHODS OF USE ACE, SARS1, ACE2 HDAC8 1679/4885HDAC6 465/4885MAPT 1614/4885

“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.