SCHEMBL4894958

SCHEMBL4894958

CCOC(=O)c1cccc(-c2cc[n+]([O-])cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
GALR1 P47211 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48

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
SCHEMBL4193217 0.88 TP53 (0.61) TP53POLBHPGDGALR1CYP4F2
SCHEMBL29617015 0.86 TP53 (0.62) TP53POLBHPGDGALR1CYP4F2
SCHEMBL2404818 0.85 NPC1 (0.59) TP53POLBHPGD
SCHEMBL5863231 0.82 TP53 (0.56) TP53POLBHPGDGALR1CYP4F2
SCHEMBL2771575 0.81 CA12 (0.62) TP53POLBHPGD
SCHEMBL5863201 0.80 TP53 (0.57) TP53POLBHPGDGALR1CYP4F2
SCHEMBL11223090 0.80 TP53 (0.59) TP53POLBHPGDGALR1CYP4F2
SCHEMBL4873097 0.80 CA12 (0.58) HPGD
SCHEMBL2265211 0.79 IMPDH2 (0.57) TP53POLBHPGD
SCHEMBL12812376 0.79 CYP1A2 (0.54) TP53POLBHPGD

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 6 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-1474416-B1 DIHYDROBENZODIAZEPIN-2-ONE-DERIVATIVES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS HOFFMANN LA ROCHE (CH) 2007-09-26 EP disclosed
US-6949542-B2 Dihydro-benzo[b][1,4]diazepin-2-one derivatives HOFFMAN-LA ROCHE INC. (US) 2005-09-27 US disclosed
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG (CH) 2003-09-04 US 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 (3 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 TP53 682/4885POLB 184/4885HPGD 3698/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 TP53 682/4885POLB 184/4885HPGD 3698/4885
US-20030166639-A1 Dihydro-benzo[b][1,4]diazepin-2-one derivatives CYP1B1, GRIN2B, CYP4B1 TP53 4642/4885POLB 1609/4885HPGD 237/4885

“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.