SCHEMBL4523979

SCHEMBL4523979

COCCOc1cc(OC)cc(F)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.40
KDM1A O60341 1/20 0.34
L3MBTL1 Q9Y468 9/20 0.33
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 4/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP1A2 P05177 1/20 0.33
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL4530715 0.83 TAAR1 (0.42) TAAR1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17431922 0.80 SYK (0.37) TAAR1L3MBTL1FGFR1FLT1KDR
SCHEMBL30083748 0.80 TAAR1 (0.44) TAAR1L3MBTL1ALDH1A1TDP1MAPT
SCHEMBL1042615 0.80 TAAR1 (0.44) TAAR1L3MBTL1ALDH1A1TDP1MAPT
SCHEMBL4533581 0.78 L3MBTL1 (0.38) KDM1AL3MBTL1ALDH1A1TDP1MAPT
SCHEMBL5771980 0.76 SQOR (0.38) TAAR1L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL1552502 0.75 ALDH1A1 (0.50) TAAR1KDM1AALDH1A1CYP1A2
SCHEMBL13091914 0.75 KDM1A (0.35) TAAR1KDM1AL3MBTL1ALDH1A1MAPT
SCHEMBL983772 0.72 SLC6A4 (0.49) KDM1AL3MBTL1ALDH1A1TDP1MAPT
SCHEMBL28515302 0.72 L3MBTL1 (0.46) KDM1AL3MBTL1ALDH1A1TDP1MAPT

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 TAAR1 1668/4885KDM1A 451/4885L3MBTL1 4442/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 TAAR1 1668/4885KDM1A 451/4885L3MBTL1 4442/4885

“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.