SCHEMBL6153615

SCHEMBL6153615

O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cc(Br)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.67
NPC1 O15118 2/20 0.61
RRM1 P23921 2/20 0.57
RRM2B Q7LG56 2/20 0.57
GSTO1 P78417 1/20 0.57
CSNK2A1 P68400 3/20 0.54
CSNK2A2 P19784 1/20 0.54
CSNK2B P67870 1/20 0.54
CSNK2A3 Q8NEV1 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AR P10275 1/20 0.51
PTGES O14684 1/20 0.51
VCP P55072 1/20 0.51

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
SCHEMBL330472 0.89 KMT2A (0.61) RAB9ANPC1RRM1RRM2BMEN1
SCHEMBL7231423 0.88 RAB9A (0.80) RAB9ANPC1RRM1RRM2BGSTO1
SCHEMBL7239776 0.88 RAB9A (0.80) RAB9ANPC1RRM1RRM2BGSTO1
SCHEMBL27582671 0.84 SCD (0.60) RAB9ANPC1RRM1RRM2BCSNK2A1
SCHEMBL27582684 0.84 CSNK2A2 (0.56) RAB9ANPC1RRM1RRM2BCSNK2A1
SCHEMBL7239525 0.81 RAB9A (0.86) RAB9ANPC1RRM1RRM2BGSTO1
SCHEMBL7239062 0.81 RAB9A (1.00) RAB9ANPC1RRM1RRM2BGSTO1
SCHEMBL7235764 0.78 RAB9A (0.77) RAB9ANPC1GSTO1CSNK2A1MEN1
SCHEMBL30581066 0.77 RAB9A (0.78) RAB9ANPC1RRM1RRM2BGSTO1
SCHEMBL5099990 0.77 RAB9A (0.76) RAB9ANPC1RRM1RRM2BGSTO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP RAB9A 3814/4885NPC1 4548/4885RRM1 2553/4885

“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.