SCHEMBL4929872

SCHEMBL4929872

C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 9/20 0.60
PHGDH O43175 1/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
CSNK2A1 P68400 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CLK1 P49759 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL14184628 0.90 AMY1A (0.64) AMY1AMEN1KMT2AMAPTALDH1A1
SCHEMBL2878460 0.88 AMY1A (0.56) AMY1AMEN1KMT2AMAPTGAA
SCHEMBL14184635 0.88 AMY1A (0.48) AMY1APHGDHMEN1KMT2AMAPT
SCHEMBL29283129 0.80 PHGDH (0.45) AMY1APHGDHMEN1KMT2AMAPT
SCHEMBL14214492 0.80 AMY1A (0.61) AMY1AMEN1KMT2AMAPTALDH1A1
SCHEMBL13342146 0.79 AMY1A (0.60) AMY1AMEN1KMT2AMAPTGAA
SCHEMBL20600083 0.78 AMY1A (0.64) AMY1AMEN1KMT2AMAPTALDH1A1
SCHEMBL6789222 0.77 ACACB (0.57) PHGDHMEN1KMT2AMAPTALDH1A1
SCHEMBL6794110 0.77 ACACB (0.57) PHGDHMEN1KMT2AMAPTALDH1A1
SCHEMBL27583336 0.77 ACACB (0.57) PHGDHMEN1KMT2AMAPTALDH1A1

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-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
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 AMY1A 3216/4885PHGDH 3701/4885MEN1 1829/4885

“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.