SCHEMBL3827355

SCHEMBL3827355

CNC(=O)[C@@H]1C[C@H](O)CN1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VHL P40337 1/20 0.41
ATM Q13315 1/20 0.40
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
SYK P43405 1/20 0.32
ALB P02768 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
PIK3CD O00329 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL8053252 1.00 VHL (0.41) VHLATMCHRNB2CHRNA4ALDH1A1
SCHEMBL5471213 1.00 VHL (0.41) VHLATMCHRNB2CHRNA4ALDH1A1
Hydrochloric Acid SCHEMBL2492744 0.98 VHL (0.40) VHLATMCHRNB2CHRNA4ALDH1A1
SCHEMBL12051499 0.84 CHRNB2 (0.33) VHLCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL15336500 0.84 CHRNB2 (0.33) VHLCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL25111569 0.84 CHRNB2 (0.33) VHLCHRNB2CHRNA4CHRNA7CHRNB4
SCHEMBL26207899 0.80 VHL (0.41) VHLATMCHRNB2CHRNA4ALDH1A1
SCHEMBL24313223 0.79 ATM (0.41) ATMCHRNB2CHRNA4ALDH1A1CHRNA7
SCHEMBL13997593 0.79 ATM (0.34) VHLATMALDH1A1
SCHEMBL2501850 0.78 PEPD (0.34) VHLCHRNB2CHRNA4CHRNA7CHRNB4

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 VHL 171/4885ATM 507/4885CHRNB2 4675/4885

“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.