SCHEMBL6154823

SCHEMBL6154823

O=C(CNC(=S)Nc1cccc(Br)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
MAPT P10636 9/20 0.57
POLB P06746 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
BLM P54132 1/20 0.52
HPGD P15428 2/20 0.52
THRB P10828 1/20 0.52
ALOX12 P18054 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 2/20 0.52
TRPV1 Q8NER1 1/20 0.51
PKM P14618 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL6155499 0.82 MAPT (0.76) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL25822192 0.80 KMT2A (0.76) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL6154827 0.77 TRPV1 (0.50) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL4956741 0.76 CYP1A2 (0.56) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL30542203 0.76 ALDH1A1 (0.65) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL16430901 0.74 MEN1 (0.81) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL8980467 0.74 ALDH1A1 (0.62) ALDH1A1MAPTPOLBKMT2AMEN1
SCHEMBL30434704 0.73 KMT2A (0.82) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL5455148 0.73 KMT2A (0.82) ALDH1A1MAPTPOLBNPC1RAB9A
SCHEMBL9850129 0.73 ALDH1A1 (0.58) ALDH1A1MAPTPOLBKMT2AMEN1

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 ALDH1A1 961/4885MAPT 3318/4885POLB 3621/4885

“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.