SCHEMBL972532

SCHEMBL972532

CC(CN)Nc1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 2/20 0.38
XBP1 P17861 1/20 0.38
CSF1R P07333 1/20 0.38
LTK P29376 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
CDK7 P50613 1/20 0.38
CDK9 P50750 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CDK5 Q00535 1/20 0.38
PTK2 Q05397 1/20 0.38
CAMK1D Q8IU85 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ALK Q9UM73 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL13574526 0.83 FDPS (0.47) FDPSSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL4695990 0.83 FDPS (0.47) FDPSSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL13996006 0.81 FDPS (0.46) FDPSSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL1204712 0.80 CYP1A2 (0.46) FDPSSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL22826936 0.80 FDPS (0.45) FDPSSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL577833 0.78
SCHEMBL19361300 0.76 L3MBTL1 (0.44) FDPSSMN1; SMN2ALDH1A1PKMKDM4E
SCHEMBL23487154 0.76 FDPS (0.47) FDPSSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL13574496 0.73 FDPS (0.49) FDPSSMN1; SMN2ALDH1A1PKMCDK5
SCHEMBL30566396 0.72 FDPS (0.47) FDPSSMN1; SMN2ALDH1A1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 FDPS 29/4885SMN1; SMN2 4756/4885ALDH1A1 844/4885

“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.