SCHEMBL1505294

SCHEMBL1505294

COC(=O)c1cccc(-c2cnc(-c3ccc(C(C)C)cc3)o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 3/20 0.53
TP53 P04637 3/20 0.53
GAA P10253 3/20 0.53
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 3/20 0.53
GLA P06280 2/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FAAH O00519 1/20 0.49
PTPN1 P18031 3/20 0.49
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL1505232 0.87 RAB9A (0.51) ALDH1A1RAB9AKDM4ENPC1TP53
SCHEMBL1505390 0.84 PTPN1 (0.52) ALDH1A1RAB9AKDM4ENPC1TP53
SCHEMBL1505363 0.83 NPC1 (0.53) ALDH1A1RAB9AKDM4ENPC1HPGD
SCHEMBL1505354 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ETP53HPGDSMN1; SMN2
SCHEMBL1505207 0.82 PTPN1 (0.55) ALDH1A1RAB9AKDM4ENPC1TP53
SCHEMBL14637938 0.82 FAAH (0.55) ALDH1A1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL4266277 0.81 KDM4E (0.57) ALDH1A1RAB9AKDM4ENPC1TP53
SCHEMBL1505253 0.78 PLAU (0.45) RAB9ANPC1TP53MAPTCDK8
SCHEMBL3377076 0.78 RAB9A (0.68) ALDH1A1RAB9AKDM4ENPC1TP53
SCHEMBL12171793 0.78 RXRA (0.52) ALDH1A1RAB9AKDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 EP disclosed
EP-1815206-B1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS INC (US) 2016-04-06 EP disclosed
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 EP disclosed
EP-2311455-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 EP disclosed
EP-2311455-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-04-20 EP disclosed
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
EP-2301536-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
CN-101076703-A Compounds for nonsense inhibition and methods of use thereof PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
EP-1815206-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-08-08 EP disclosed
WO-2006044456-A1 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-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 ALDH1A1 3402/4885RAB9A 2618/4885KDM4E 1227/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 ALDH1A1 3402/4885RAB9A 2618/4885KDM4E 1227/4885

“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.