SCHEMBL6001104

SCHEMBL6001104

O=C(OCc1nc(-c2ccc(CO)cc2)cs1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.50
RAB9A P51151 8/20 0.48
NPC1 O15118 6/20 0.48
L3MBTL1 Q9Y468 4/20 0.48
TDP1 Q9NUW8 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MAPT P10636 7/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 3/20 0.43

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
SCHEMBL5999954 0.90 RAB9A (0.51) PKMRAB9ANPC1L3MBTL1TDP1
SCHEMBL14236726 0.90 MAPT (0.52) PKMRAB9ANPC1L3MBTL1TDP1
SCHEMBL6000588 0.89 RAB9A (0.55) PKMRAB9ANPC1L3MBTL1TDP1
SCHEMBL6000476 0.88 RAB9A (0.56) PKMRAB9ANPC1L3MBTL1TDP1
Benzoic Acid SCHEMBL2284793 0.86 RAB9A (0.53) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL27542390 0.79 MAPT (0.52) PKMRAB9ANPC1L3MBTL1TDP1
SCHEMBL4726570 0.79 RAB9A (0.76) PKMRAB9ANPC1L3MBTL1TDP1
SCHEMBL6000209 0.77 PTPN2 (0.58) PKMRAB9ANPC1L3MBTL1TDP1
SCHEMBL5153381 0.75 KMT2A (0.79) RAB9ANPC1L3MBTL1TDP1MAPT
SCHEMBL11705928 0.75 TDP1 (0.50) PKMRAB9ANPC1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PKM 3843/4885RAB9A 1393/4885NPC1 955/4885

“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.