SCHEMBL6157729

SCHEMBL6157729

O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Br)cc1

nearest known ligand 0.95

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.74
PARP1 P09874 1/20 0.70
LMNA P02545 3/20 0.69
ALDH1A1 P00352 2/20 0.69
PHGDH O43175 3/20 0.68
ADORA3 P0DMS8 1/20 0.68
MAPT P10636 2/20 0.64
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
PKM P14618 1/20 0.64
HPGD P15428 1/20 0.64
ALOX12 P18054 1/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RAB9A P51151 1/20 0.63
RRM1 P23921 1/20 0.62
RRM2B Q7LG56 1/20 0.62

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
SCHEMBL17107249 0.97 SCD (0.78) SCDPARP1LMNAALDH1A1PHGDH
SCHEMBL17107123 0.95 LMNA (0.76) SCDPARP1LMNAALDH1A1PHGDH
SCHEMBL23674562 0.93 SCD (0.84) SCDPARP1LMNAALDH1A1PHGDH
SCHEMBL1270375 0.88 SCD (0.89) SCDPARP1LMNAALDH1A1PHGDH
SCHEMBL3341958 0.88 MAPT (0.79) SCDLMNAALDH1A1MAPTKDM4E
SCHEMBL14102514 0.87 KMT2A (0.67) SCDLMNAALDH1A1MAPTKDM4E
SCHEMBL6249035 0.87 SCD (0.74) SCDPARP1LMNAALDH1A1PHGDH
SCHEMBL13206963 0.87 SCD (0.82) SCDPARP1LMNAPHGDHADORA3
SCHEMBL16562127 0.85 SCD (1.00) SCDPARP1LMNAALDH1A1PHGDH
SCHEMBL4746841 0.85 ALDH1A1 (0.63) SCDPARP1LMNAALDH1A1PHGDH

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 SCD 3999/4885PARP1 4726/4885LMNA 4884/4885

“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.