SCHEMBL4535300

SCHEMBL4535300

CC1(C)CC(Oc2ccccc2Br)CC(C)(C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
USP2 O75604 1/20 0.37
EZH2 Q15910 7/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
RAD52 P43351 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 1/20 0.36
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1473149 0.78 KMT2A (0.47) GAAALDH1A1MEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL1470660 0.76 KMT2A (0.46) GAAUSP2MEN1KMT2AL3MBTL1
SCHEMBL21163541 0.76 GAA (0.42) GAAALDH1A1MEN1LMNAMAPT
SCHEMBL451934 0.75 GAA (0.54) GAAEZH2ALDH1A1MEN1LMNA
SCHEMBL31652114 0.74 HRH1 (0.43) ALDH1A1LMNAKMT2AHTR1AADRA2A
SCHEMBL2404772 0.74 HRH1 (0.43) ALDH1A1LMNAKMT2AHTR1AADRA2A
SCHEMBL13777963 0.73 SLC6A4 (0.58) HTR1A
SCHEMBL27622911 0.72 GAA (0.41) GAAEZH2ALDH1A1MEN1LMNA
Hydrochloric Acid SCHEMBL3956421 0.72 SLC6A4 (0.56) HTR1A
SCHEMBL16333708 0.71 HRH1 (0.41) MEN1LMNAKMT2AHTR1APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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 (2 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 GAA 337/4885USP2 1745/4885EZH2 3015/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 GAA 337/4885USP2 1745/4885EZH2 3015/4885

“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.