SCHEMBL4924360

SCHEMBL4924360

Cc1nc(NC(=O)c2ccc(C#N)cc2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
ALDH1A1 P00352 6/20 0.59
KMT2A Q03164 4/20 0.59
RXFP1 Q9HBX9 5/20 0.56
NPSR1 Q6W5P4 3/20 0.56
KDM4E B2RXH2 6/20 0.56
MEN1 O00255 3/20 0.55
PKM P14618 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
DUSP3 P51452 1/20 0.53
GAA P10253 2/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
LCK P06239 1/20 0.51
PDE5A O76074 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48

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
SCHEMBL28480632 0.90 RAB9A (0.74) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4193912 0.85 RAB9A (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3579796 0.85 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL8109639 0.84 ALDH1A1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3582729 0.84 NPC1 (0.73) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3583072 0.83 SCD (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3595226 0.83 ALOX5 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL3588056 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4346190 0.83 NPC1 (0.80) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4915021 0.83 NPC1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1KMT2A

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
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 claimed
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 claimed
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 claimed
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
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

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 NPC1 1803/4885RAB9A 1327/4885SMN1; SMN2 2251/4885

“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.