SCHEMBL4517035

SCHEMBL4517035

CSc1cccc(SC)c1I

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
GRM5 P41594 1/20 0.32
IDO1 P14902 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHRM2 P08172 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9396238 0.87 IDO1 (0.33) ALDH1A1KMT2ASMN1; SMN2TP53NPSR1
SCHEMBL22121949 0.85 CYP1A2 (0.36) ALDH1A1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL30523308 0.85 CYP1A2 (0.36) ALDH1A1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL7948231 0.83 MAPT (0.42) ALDH1A1KMT2ASMN1; SMN2NPSR1MAPT
SCHEMBL8586125 0.83 LMNA (0.36) ALDH1A1KMT2ASMN1; SMN2TP53NPSR1
SCHEMBL25318518 0.83 ALDH1A1 (0.33) ALDH1A1KDM4ELMNARAB9A
SCHEMBL31568903 0.83 ALDH1A1 (0.33) ALDH1A1KDM4ELMNARAB9A
SCHEMBL22564255 0.76 NPSR1 (0.36) NPSR1L3MBTL1
SCHEMBL767433 0.74
SCHEMBL812717 0.74 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2TP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858945-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2023-11-29 EP disclosed
EP-3858945-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-08-04 EP disclosed
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 ALDH1A1 1591/4885KMT2A 2013/4885SMN1; SMN2 4747/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALDH1A1 1591/4885KMT2A 2013/4885SMN1; SMN2 4747/4885

“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.