SCHEMBL4918908

SCHEMBL4918908

COc1ccc(Nc2nc(C)c(C(=O)O)s2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TP53 P04637 2/20 0.55
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
HPGD P15428 3/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MAPK1 P28482 2/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
CASP1 P29466 1/20 0.53
STAT1 P42224 1/20 0.53
CCR6 P51684 1/20 0.53
OPRM1 P35372 1/20 0.53
SHMT2 P34897 1/20 0.51

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
SCHEMBL4923310 0.90 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4923308 0.90 MAPT (0.57) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4924626 0.85 MAPT (0.76) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4920004 0.81 MAPT (0.55) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4926010 0.79 RAB9A (0.62) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL3435518 0.75 SMN1; SMN2 (0.51) KDM4EALDH1A1MEN1KMT2ATP53
SCHEMBL4918936 0.74 MAPT (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4924619 0.74 MAPT (0.60) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4923629 0.73 MAPT (0.56) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL14132670 0.73 MMP9 (0.77) MAPTKDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family DEVGEN NV (BE) 2008-05-29 US disclosed
EP-1819330-A1 5-CARBOXAMIDO SUBSTITUED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY Devgen N.V. (BE) 2007-08-22 EP disclosed
WO-2006058905-A1 5-CARBOXAMIDO SUBSTITUTED THIAZOLE DERIVATIVES THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE Kv FAMILY DEVGEN NV (BE) 2006-06-08 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 (1 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-20080125432-A1 5-Carboxamido Substituted Thiazole Derivatives that Interact With Ion Channels, In Particular With Ion Channels From the Kv Family KCNA5, KCNA1, KCNJ2 MAPT 1729/4885KDM4E 1589/4885ALDH1A1 1395/4885

“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.