SCHEMBL6153948

SCHEMBL6153948

S=CNNNc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
IDO1 P14902 2/20 0.42
TGM2 P21980 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
GAA P10253 1/20 0.38
CA1 P00915 1/20 0.38
MMP2 P08253 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
P2RX1 P51575 1/20 0.35
GRK2 P25098 1/20 0.35
CASP6 P55212 1/20 0.35
CASP8 Q14790 1/20 0.35

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
SCHEMBL790339 0.77 MEN1 (0.52) MEN1KMT2AALDH1A1KDM4EIDO1
SCHEMBL6664529 0.75 RAPGEF4 (0.46) MEN1KMT2AALDH1A1KDM4EIDO1
SCHEMBL31068396 0.71 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EIDO1
SCHEMBL28922554 0.71 ALDH1A1 (0.57) MEN1KMT2AALDH1A1KDM4EIDO1
SCHEMBL28200116 0.71 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EIDO1
SCHEMBL14586551 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EIDO1
Hydrochloric Acid SCHEMBL8660554 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EIDO1
SCHEMBL21436355 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EIDO1
Hydrochloric Acid SCHEMBL8662102 0.70 RAPGEF4 (0.48) MEN1KMT2AALDH1A1KDM4EIDO1
Hydrochloric Acid SCHEMBL3642582 0.68 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EIDO1

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 3 patents. 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 disclosed
EP-1446110-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES Structural Bioinformatics Inc. (US) 2004-08-18 EP disclosed
WO-2003032916-A2 ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES STRUCTURAL BIOINFORMATICS INC. (US) 2003-04-24 WO 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MEN1 4329/4885KMT2A 875/4885ALDH1A1 961/4885

“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.