SCHEMBL4895475

SCHEMBL4895475

COC(=O)c1cccc(-c2cccc(-c3ccccc3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.66
GABRB3 P28472 1/20 0.66
GABRA5 P31644 1/20 0.66
GABRA3 P34903 1/20 0.66
TSHR P16473 1/20 0.56
CDK8 P49336 1/20 0.53
RAB9A P51151 3/20 0.53
PDK2 Q15119 1/20 0.52
NPC1 O15118 1/20 0.52
NEK1 Q96PY6 1/20 0.52
PDE5A O76074 1/20 0.52
AXL P30530 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GAA P10253 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
SDHB P21912 1/20 0.51

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
SCHEMBL13680584 0.86 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3TSHR
SCHEMBL28490522 0.85 TSHR (0.57) GABRG2GABRB3GABRA5GABRA3TSHR
SCHEMBL1221576 0.84 TSHR (0.67) GABRG2GABRB3GABRA5GABRA3TSHR
SCHEMBL29410906 0.84 TSHR (0.67) GABRG2GABRB3GABRA5GABRA3TSHR
SCHEMBL6714723 0.84 CA12 (0.52) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL30107993 0.84 CDK8 (0.54) GABRG2GABRB3GABRA5GABRA3TSHR
SCHEMBL6718372 0.84 CNR1 (0.56) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5562975 0.84 GRM5 (0.64) GABRG2GABRB3GABRA5GABRA3TSHR
SCHEMBL3359577 0.83 CA12 (0.65) GABRG2GABRB3GABRA5GABRA3TSHR
Hydrochloric Acid SCHEMBL29506745 0.83 CA12 (0.65) GABRG2GABRB3GABRA5GABRA3TSHR

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 GABRG2 2136/4885GABRB3 1676/4885GABRA5 2656/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 GABRG2 2136/4885GABRB3 1676/4885GABRA5 2656/4885

“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.