SCHEMBL4889753

SCHEMBL4889753

CCOC(=O)c1ccc(-c2ccnc(-c3ccc(C(C)C)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 1/20 0.45
PRNP P04156 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL2856840 0.82 CA12 (0.47) MAP4K4NPC1RAB9ALMNACYP1A2
SCHEMBL4892007 0.81 MAP4K4 (0.54) MAP4K4NPC1MEN1KMT2AKDM4E
SCHEMBL4900078 0.81 MAP4K4 (0.54) MAP4K4NPC1MEN1KMT2AKDM4E
SCHEMBL570567 0.81 LMNA (0.67) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL18985455 0.80 PDGFRB (0.49) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4900084 0.78 NPC1 (0.48) NPC1RAB9ALMNAKDM4EPOLB
SCHEMBL4901801 0.77 LMNA (0.49) NPC1RAB9ALMNAMAPT
SCHEMBL27771735 0.76 CA12 (0.58) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL4895264 0.75 SYK (0.48) LMNAMAPT
SCHEMBL21656816 0.74 LMNA (0.57) NPC1RAB9ALMNACYP1A2CYP3A4

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-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. (US) 2016-08-11 US disclosed
US-9315467-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. 2008-05-22 US disclosed
EP-1799212-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044505-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (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-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 MAP4K4 4159/4885NPC1 732/4885RAB9A 2618/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 MAP4K4 4159/4885NPC1 732/4885RAB9A 2618/4885

“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.