SCHEMBL6000476

SCHEMBL6000476

O=C(O)c1ccc(-c2csc(COC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.56
NPC1 O15118 7/20 0.56
KDM4E B2RXH2 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.50
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MAPT P10636 7/20 0.49
CSNK2A1 P68400 1/20 0.48
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
PKM P14618 1/20 0.46
APEX1 P27695 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
Benzoic Acid SCHEMBL2284793 0.96 RAB9A (0.53) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL14236726 0.92 MAPT (0.52) RAB9ANPC1KDM4EALDH1A1L3MBTL1
SCHEMBL6000588 0.91 RAB9A (0.55) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL5999954 0.88 RAB9A (0.51) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6001104 0.88 PKM (0.50) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4784274 0.81 RAB9A (0.76) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL11705928 0.77 TDP1 (0.50) RAB9ANPC1SMN1; SMN2TDP1MAPT
SCHEMBL1199693 0.76 RAB9A (0.65) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4850292 0.76 MAPT (0.52) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL27542390 0.76 MAPT (0.52) RAB9ANPC1KDM4ESMN1; SMN2L3MBTL1

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 RAB9A 1393/4885NPC1 955/4885KDM4E 1731/4885

“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.