SCHEMBL1505573

SCHEMBL1505573

COC(=O)c1cccc(-c2nsc(-c3ccc(C(C)C)cc3)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.45
HSD17B2 P37059 2/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PLAU P00749 4/20 0.42
CDK8 P49336 1/20 0.42
ERN1 O75460 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DHFR P00374 2/20 0.41
KDM5B Q9UGL1 1/20 0.41
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL1505278 0.87 HSD17B1 (0.48) HSD17B1HSD17B2MAPTSNCAHDAC3
SCHEMBL1505429 0.83 HSD17B1 (0.45) HSD17B1HSD17B2NPC1RAB9A
SCHEMBL1505281 0.82 HSD17B1 (0.51) HSD17B1HSD17B2NPC1RAB9AMAPT
SCHEMBL1505401 0.81 SMN1; SMN2 (0.53) HSD17B1HSD17B2NPC1RAB9AMAPT
SCHEMBL1505315 0.80 HSD17B1 (0.46) HSD17B1HSD17B2CA12CA1CA2
SCHEMBL5184668 0.77 CDK8 (0.47) CA12CA1CA2CA9PLAU
SCHEMBL19131313 0.77 CYP19A1 (0.57) HSD17B1HSD17B2NPC1RAB9AMAPT
SCHEMBL12171582 0.75 MAPT (0.53) CA12CA1CA2CA9NPC1
SCHEMBL19132173 0.75 NPC1 (0.58) NPC1RAB9ANR1H4MAPT
SCHEMBL1505363 0.75 NPC1 (0.53) CA12CA1CA2CA9NPC1

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 12 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-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 HSD17B1 3494/4885HSD17B2 3690/4885CA12 4708/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 HSD17B1 3494/4885HSD17B2 3690/4885CA12 4708/4885

“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.