SCHEMBL871283

SCHEMBL871283

C[S@@](=O)(=NC(=O)c1cncc(-c2cccc(NC(=O)c3cccs3)c2)c1)C1C=CC=CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CLK1 P49759 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABL1 P00519 1/20 0.40
PDGFRB P09619 1/20 0.40
SRC P12931 1/20 0.40
PDGFRA P16234 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNK3 O14649 2/20 0.39

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
SCHEMBL871769 0.87 PIP4K2A (0.49) PDGFRBPIP4K2APIP4K2B
SCHEMBL868445 0.85 KCNK3 (0.40) MAPTRAB9ANPC1KDM4EMEN1
SCHEMBL10183187 0.84 CYP17A1 (0.44) PDGFRBPIP4K2APIP4K2B
SCHEMBL10182185 0.81 KMO (0.41) LMNAGAA
SCHEMBL11985203 0.80 KAT6A (0.40) MAPTPDGFRBPIP4K2APIP4K2B
SCHEMBL871636 0.80 KAT6A (0.40) MAPTPDGFRBPIP4K2APIP4K2B
SCHEMBL869821 0.78 KDR (0.39) HTTMEN1LMNAKMT2APDGFRB
SCHEMBL10182211 0.77 SCN10A (0.47) MAPTCLK1ABL1
SCHEMBL11985268 0.76 MKNK1 (0.34) CLK1PIP4K2APIP4K2B
SCHEMBL11985204 0.75 SCN10A (0.40) PDGFRB

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-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US 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-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885HTT 4564/4885RAB9A 2105/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MAPT 1650/4885HTT 4564/4885RAB9A 2105/4885

“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.