SCHEMBL4520712

SCHEMBL4520712

CCSc1ccc(OBOc2ccc(SCC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.41
MAOA P21397 2/20 0.41
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.34
APP P05067 1/20 0.34
GSK3B P49841 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
NQO1 P15559 1/20 0.32
HPGD P15428 1/20 0.32
MAOB P27338 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
SCHEMBL346860 0.78 SLC6A4 (0.56) SLC6A4MAOANPC1RAB9AALDH1A1
SCHEMBL1323789 0.77 APP (0.53) SLC6A4MAOANPC1RAB9AALDH1A1
SCHEMBL18883698 0.76 NQO1 (0.64) SLC6A4MAOANPC1RAB9AALDH1A1
SCHEMBL911093 0.75 CYP1A1 (0.47) SLC6A4MAOAALDH1A1CYP1A2MAOB
SCHEMBL5206052 0.74 SLC6A4 (0.41) SLC6A4MAOANPC1RAB9AALDH1A1
SCHEMBL7050105 0.72 SLC6A4 (0.48) SLC6A4MAOARAB9ACYP1A2CYP3A4
SCHEMBL13969406 0.72 LTA4H (0.55) MAOANPC1RAB9AALDH1A1HPGD
SCHEMBL18892562 0.72 ALDH1A1 (0.46) SLC6A4MAOAALDH1A1CYP1A2MAOB
SCHEMBL22068903 0.71 ALDH1A1 (0.44) SLC6A4MAOANPC1RAB9AALDH1A1
SCHEMBL3600977 0.71 SLC6A4 (0.40) SLC6A4MAOANPC1RAB9AALDH1A1

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 SLC6A4 1830/4885MAOA 965/4885NPC1 2641/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SLC6A4 1830/4885MAOA 965/4885NPC1 2641/4885

“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.