SCHEMBL6153827

SCHEMBL6153827

O=[N+]([O-])c1cccc(C[N]c2ccc(Cl)c(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 3/20 0.44
PYCR1 P32322 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL11215625 0.74 KMT2A (0.45) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL6153829 0.73 MAPT (0.63) TSHRHSD17B10ALDH1A1TDP1MEN1
SCHEMBL10071783 0.73 TSHR (0.65) TSHRALDH1A1TDP1LMNAPYCR1
SCHEMBL9710728 0.71 TSHR (1.00) TSHRALDH1A1TDP1LMNAPYCR1
SCHEMBL356063 0.71 TSHR (1.00) TSHRALDH1A1TDP1LMNAPYCR1
SCHEMBL10918542 0.70 TSHR (0.71) TSHRALDH1A1TDP1LMNAPYCR1
SCHEMBL3806617 0.70 HSD17B10 (0.63) TSHRHSD17B10ALDH1A1TDP1LMNA
SCHEMBL85918 0.70 HSD17B10 (1.00) TSHRHSD17B10ALDH1A1TDP1LMNA
SCHEMBL29360183 0.70 HSD17B10 (1.00) TSHRHSD17B10ALDH1A1TDP1LMNA
SCHEMBL6154495 0.70 CYP2A6 (0.42) TDP1PYCR1KMT2ACYP1A2MAPK1

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 TSHR 1917/4885HSD17B10 3147/4885ALDH1A1 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.