SCHEMBL13440541

SCHEMBL13440541

Cc1cc(NC2CC2)cc(=O)n1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.40
LMNA P02545 2/20 0.40
NOTUM Q6P988 1/20 0.39
MAPT P10636 6/20 0.36
POLB P06746 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
CYP1A2 P05177 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL21931405 0.74 ALDH1A1 (0.47) ALDH1A1LMNANOTUMMAPTPOLB
SCHEMBL13440540 0.72 NOTUM (0.47) ALDH1A1LMNANOTUMMAPTPOLB
SCHEMBL27515051 0.65 KDM4E (0.48) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL4763682 0.65 ALDH1A1 (0.49) ALDH1A1LMNANOTUMMAPTPOLB
SCHEMBL25778900 0.63 ALDH1A1 (0.39) ALDH1A1LMNANOTUMMAPTNPC1
SCHEMBL21929115 0.62 ALDH1A1 (0.41) ALDH1A1LMNANOTUMMAPTPOLB
SCHEMBL338465 0.61 RIPK1 (0.43) ALDH1A1LMNANOTUMMAPTNPC1
SCHEMBL13440545 0.60 NOTUM (0.40) ALDH1A1LMNANOTUMMAPTPOLB
SCHEMBL13990291 0.60 ALDH1A1 (0.57) ALDH1A1LMNANOTUMMAPTPOLB
SCHEMBL25886649 0.59 ALDH1A1 (0.39) ALDH1A1LMNANOTUMMAPTPOLB

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 ALDH1A1 3494/4885LMNA 2706/4885NOTUM 3574/4885

“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.