SCHEMBL13440545

SCHEMBL13440545

Cc1cc2c(c(O)cc(=O)n2C2CC2)c(=O)n1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 5/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ATM Q13315 1/20 0.33
LDHA P00338 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL13442354 0.77 NOTUM (0.38) NOTUMPOLBNPSR1ALDH1A1LMNA
SCHEMBL13440540 0.72 NOTUM (0.47) NOTUMPOLBALDH1A1LMNANPC1
SCHEMBL29832123 0.71 OPRM1 (0.34) POLBNPSR1
SCHEMBL28656798 0.71 OPRM1 (0.34) POLBNPSR1
SCHEMBL21931405 0.68 ALDH1A1 (0.47) NOTUMPOLBNPSR1ALDH1A1LMNA
SCHEMBL4379145 0.67 ALDH1A1 (0.47) NOTUMPOLBNPSR1ALDH1A1MEN1
SCHEMBL21931406 0.67 LMNA (0.46) NOTUMPOLBNPSR1ALDH1A1LMNA
SCHEMBL13442352 0.66 TYMS (0.36) NOTUMPOLBNPSR1ALDH1A1NPC1
SCHEMBL13442353 0.66 TSHR (0.38) POLBNPSR1ALDH1A1CYP1A2
SCHEMBL19181866 0.65 KCNH2 (0.33) NOTUM

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-20100069380-A1 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. 2010-03-18 US disclosed
US-20100069380-A1 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. 2010-03-18 US disclosed
WO-2008127274-A2 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF PTC THERAPEUTICS, INC. (US) 2008-10-23 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-20100069380-A1 HETEROCYCLIC INHIBITORS OF BACTERIAL PEPTIDYL TRNA HYDROLASE AND USES THEREOF NSUN3, TARBP1, TRMT1 NOTUM 3574/4885POLB 655/4885NPSR1 4148/4885

“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.