SCHEMBL4901239

SCHEMBL4901239

CC(C)c1ccc(-c2cncc(Br)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CYP11B2 P19099 3/20 0.45
CYP11B1 P15538 2/20 0.45
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
PGR P06401 1/20 0.40
PTGS2 P35354 3/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
PTK2 Q05397 1/20 0.39
DHODH Q02127 1/20 0.38
VEGFA P15692 1/20 0.36
FLT1 P17948 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL20437879 0.79 GPR55 (0.50) CYP2A6CYP11B2CYP11B1HPGDPTGS2
SCHEMBL3374955 0.79 CYP2A6 (0.52) CYP2A6CYP11B2CYP11B1MEN1KMT2A
SCHEMBL5116017 0.79 CYP2A6 (0.52) CYP2A6CYP11B2CYP11B1PGRPTK2
SCHEMBL5110764 0.79 CYP2A6 (0.52) CYP2A6CYP11B2CYP11B1MEN1GAA
SCHEMBL31226189 0.78 HSD17B1 (0.51) CYP11B2CYP11B1PTGS2VEGFAFLT1
SCHEMBL12920022 0.78 CYP11B2 (0.46) CYP11B2CYP11B1PTGS2
SCHEMBL7014392 0.77 PTGS2 (0.47) CYP2A6MEN1LMNAGAAKMT2A
SCHEMBL14392676 0.77 CYP2A6 (0.61) CYP2A6CYP11B2CYP11B1PGRPTGS2
SCHEMBL1502651 0.76 MEN1 (0.43) CYP2A6MEN1LMNAGAAKMT2A
SCHEMBL13291828 0.75 ALDH1A1 (0.48) CYP2A6LMNAHPGDNPC1RAB9A

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
CN-101076337-A Compounds for inhibiting nonsense mutations and methods of use thereof PTC THERAPEUTICS INC (US) 2007-11-21 CN 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 CYP2A6 4233/4885CYP11B2 3555/4885CYP11B1 3210/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 CYP2A6 4233/4885CYP11B2 3555/4885CYP11B1 3210/4885

“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.