SCHEMBL5999954

SCHEMBL5999954

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
TDP1 Q9NUW8 2/20 0.51
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
PKM P14618 2/20 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
SCHEMBL6001104 0.90 PKM (0.50) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL14236726 0.90 MAPT (0.52) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL6000588 0.89 RAB9A (0.55) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL6000476 0.88 RAB9A (0.56) RAB9ANPC1L3MBTL1TDP1CASP3
Benzoic Acid SCHEMBL2284793 0.86 RAB9A (0.53) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL4850292 0.79 MAPT (0.52) RAB9ANPC1L3MBTL1TDP1MAPT
SCHEMBL6000209 0.77 PTPN2 (0.58) RAB9ANPC1L3MBTL1TDP1CASP3
SCHEMBL11705928 0.75 TDP1 (0.50) RAB9ANPC1TDP1MAPTKMT2A
SCHEMBL27542390 0.74 MAPT (0.52) RAB9ANPC1L3MBTL1TDP1MAPT
SCHEMBL9598521 0.72 KMT2A (0.46) RAB9ATDP1MAPTALDH1A1KMT2A

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 955/4885L3MBTL1 2811/4885

“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.