SCHEMBL4885290

SCHEMBL4885290

COc1ccc2onc(-c3ccc(I)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
PTGS2 P35354 4/20 0.44
RAB9A P51151 3/20 0.43
APP P05067 3/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
NFKB1 P19838 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
SCHEMBL28347275 0.91 APP (0.52) ESR1ESR2PTGS2RAB9AAPP
SCHEMBL4883852 0.81 RXRA (0.49) ESR1ESR2PTGS2RAB9AKDM4E
SCHEMBL28346785 0.79 ALDH1A1 (0.58) ESR1ESR2PTGS2RAB9ANPC1
SCHEMBL28347431 0.77 ESR1 (0.53) ESR1ESR2RAB9AKDM4ENPC1
SCHEMBL28349622 0.74 ESR1 (0.53) ESR1ESR2RAB9ANPC1MAPT
SCHEMBL28881840 0.74 ESR1 (0.53) ESR1ESR2RAB9A
SCHEMBL28346959 0.73 ESR1 (0.49) ESR1ESR2RAB9AKDM4ENPC1
SCHEMBL10665113 0.73 CA1 (0.49) ESR1ESR2PTGS2RAB9ANPC1
SCHEMBL28349696 0.73 ESR1 (0.51) ESR1ESR2PTGS2RAB9ANPC1
SCHEMBL13588380 0.73 PIN1 (0.54) ESR1ESR2RAB9AKDM4ENPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. (US) 2008-10-30 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 (1 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-20080269191-A1 Compounds for Nonsense Suppression, Use of These Compounds for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, NSUN2, RNMT ESR1 3536/4885ESR2 3420/4885PTGS2 1950/4885

“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.