SCHEMBL871109

SCHEMBL871109

C[S@](=O)(=NC(=O)c1cncc(-c2ccc(NC(=O)c3cccs3)cc2)c1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.47
KMT2A Q03164 9/20 0.47
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MAPT P10636 6/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43

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
SCHEMBL848338 0.86 KDR (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL834296 0.86 KDR (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL834295 0.86 KDR (0.49) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL868405 0.84 SMN1; SMN2 (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL10183172 0.83 SMO (0.48) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL836127 0.81 KDR (0.59) HTT
SCHEMBL836128 0.81 KDR (0.59) HTT
SCHEMBL10182660 0.81 KAT6A (0.54)
SCHEMBL10182212 0.77 NAMPT (0.45) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL11985206 0.74 PIK3CA (0.42)

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 5 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-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 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 (3 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 MEN1 3831/4885KMT2A 1670/4885RAB9A 2105/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 MEN1 3831/4885KMT2A 1670/4885RAB9A 2105/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 MEN1 3831/4885KMT2A 1670/4885RAB9A 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.