SCHEMBL5484113

SCHEMBL5484113

Nc1nc(SCc2c(F)cccc2Cl)n[nH]1

nearest known ligand 0.82

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.82
LMNA P02545 1/20 0.82
NPSR1 Q6W5P4 2/20 0.61
PKM P14618 1/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
RECQL P46063 1/20 0.48
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL14027202 0.90 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPSR1PKMMEN1
SCHEMBL14027543 0.77 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMEN1KMT2ARECQL
SCHEMBL14027274 0.75 SMN1; SMN2 (0.60) SMN1; SMN2LMNANPSR1PKMMEN1
SCHEMBL14027549 0.72 SMN1; SMN2 (0.63) SMN1; SMN2LMNAMEN1KMT2ARECQL
SCHEMBL14027548 0.71 RECQL (0.72) SMN1; SMN2LMNANPSR1MEN1KMT2A
SCHEMBL6207563 0.70 RECQL (0.71) SMN1; SMN2LMNARECQLTP53
SCHEMBL14027208 0.69 SMN1; SMN2 (1.00) SMN1; SMN2LMNAKDM4ECYP1A2CYP3A4
SCHEMBL23510063 0.69 MEN1 (0.53) SMN1; SMN2LMNANPSR1PKMMEN1
SCHEMBL5307236 0.69 LMNA (0.55) SMN1; SMN2LMNANPSR1PKMMEN1
SCHEMBL5351815 0.69 ALDH1A1 (0.65) SMN1; SMN2LMNANPSR1PKMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 US disclosed
EP-1621539-A1 Heterocycle -substituted cyclic urea derivatives, preparation thereof and pharmaceutical use thereof as kinase inhibitors Aventis Pharma S.A. (FR) 2006-02-01 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 (2 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-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 SMN1; SMN2 4365/4885LMNA 1913/4885NPSR1 2182/4885
US-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 SMN1; SMN2 4661/4885LMNA 2146/4885NPSR1 1524/4885

“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.