SCHEMBL4410089

SCHEMBL4410089

O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(-c2csc(C(=O)O)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
MAPT P10636 4/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 1/20 0.55
NR1H4 Q96RI1 1/20 0.54
NPC1 O15118 2/20 0.54
TP53 P04637 1/20 0.53
DGAT1 O75907 2/20 0.52
MAPK14 Q16539 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
PHGDH O43175 1/20 0.51
KDM4E B2RXH2 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
BTK Q06187 1/20 0.49
ATR Q13535 1/20 0.49

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
SCHEMBL13594979 0.95 RAB9A (0.60) SMN1; SMN2MAPTRAB9AHTTNR1H4
SCHEMBL4408705 0.89 HDAC8 (0.61) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL13594992 0.83 HDAC8 (0.65) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL13594991 0.83 RAB9A (0.51) SMN1; SMN2MAPTRAB9AHTTNPC1
SCHEMBL13594987 0.83 RAB9A (0.51) SMN1; SMN2MAPTRAB9AHTTNPC1
SCHEMBL2346130 0.80 MAPT (0.62) SMN1; SMN2MAPTRAB9AHTTNPC1
SCHEMBL13594989 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MAPTRAB9AHTTNPC1
SCHEMBL4415406 0.77 ALDH1A1 (0.55) SMN1; SMN2MAPTRAB9AHTTNR1H4
SCHEMBL4411743 0.76 MAPK14 (0.66) SMN1; SMN2MAPTRAB9ANPC1TP53
SCHEMBL14028046 0.76 RAB9A (0.72) SMN1; SMN2MAPTRAB9AHTTNPC1

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 3 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
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 SMN1; SMN2 890/4885MAPT 1614/4885RAB9A 2336/4885

“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.