SCHEMBL6154600

SCHEMBL6154600

Brc1cccc([N]Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
TAAR1 Q96RJ0 4/20 0.41
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RCOR1 Q9UKL0 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL253886 0.79 ALDH1A1 (0.46) MAOBIDO1ALDH1A1SIGMAR1
SCHEMBL6155502 0.73 MEN1 (0.43) ALDH1A1SIGMAR1MEN1KMT2ANPC1
SCHEMBL30471739 0.73 ALDH1A1 (0.57) MAOBALDH1A1MAPK1MEN1KMT2A
SCHEMBL28204737 0.73 ALDH1A1 (0.57) MAOBALDH1A1MAPK1MEN1KMT2A
SCHEMBL10818149 0.73 ALDH1A1 (0.57) MAOBALDH1A1MAPK1MEN1KMT2A
SCHEMBL8696092 0.71 IDO1 (0.37) TAAR1IDO1AGXTALDH1A1MAPK1
SCHEMBL1973763 0.70 TAAR1 (0.56) MAOBTAAR1IDO1AGXTALDH1A1
SCHEMBL30102043 0.69 ALDH1A1 (0.46) TAAR1IDO1KDM1AALDH1A1MAPK1
SCHEMBL7172271 0.69 ALDH1A1 (0.46) TAAR1IDO1KDM1AALDH1A1MAPK1
SCHEMBL1971584 0.69 ALDH1A1 (0.46) TAAR1IDO1AGXTKDM1AALDH1A1

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 MAOB 3660/4885TAAR1 2141/4885IDO1 1533/4885

“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.