SCHEMBL1505401

SCHEMBL1505401

COC(=O)c1cccc(-c2csc(-c3ccc(C(C)C)cc3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
MAPT P10636 5/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 1/20 0.53
KDM4E B2RXH2 6/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
EIF4E P06730 3/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 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
SCHEMBL7221977 0.88 RAB9A (0.56) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL1505261 0.87 KDM4E (0.62) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL1505172 0.84 L3MBTL1 (0.54) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL1505212 0.83 NPC1 (0.60) SMN1; SMN2MEN1KMT2AMAPTHTT
SCHEMBL7217144 0.82 KDM4E (0.62) SMN1; SMN2MAPTHTTKDM4ENPC1
SCHEMBL7215427 0.82 CYP19A1 (0.56) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL1505573 0.81 HSD17B1 (0.45) MAPTNPC1RAB9AHSD17B1HSD17B2
SCHEMBL7220984 0.81 RAB9A (0.55) SMN1; SMN2MEN1KMT2AMAPTKDM4E
SCHEMBL1505315 0.80 HSD17B1 (0.46) MAPTKDM4ELMNAHSD17B1HSD17B2
SCHEMBL7217145 0.80 KDM4E (0.59) SMN1; SMN2MEN1KMT2AMAPTTP53

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-2301538-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-05-20 EP disclosed
EP-2311455-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-04-20 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
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use 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 SMN1; SMN2 104/4885MEN1 2836/4885KMT2A 1404/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 SMN1; SMN2 104/4885MEN1 2836/4885KMT2A 1404/4885

“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.