SCHEMBL4885296

SCHEMBL4885296

COC(=O)c1cccc(-c2nc3cc(Br)ccc3o2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.61
HSPD1 P10809 2/20 0.56
PTPN2 P17706 2/20 0.56
PTPN1 P18031 2/20 0.56
PTPN5 P54829 2/20 0.56
HSPE1 P61604 2/20 0.56
MAPT P10636 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
RAB9A P51151 3/20 0.56
TP53 P04637 3/20 0.56
GPR119 Q8TDV5 1/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
HSD17B10 Q99714 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 1/20 0.51
DUSP1 P28562 1/20 0.50

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
SCHEMBL19058682 0.91 HDAC6 (0.74) HDAC6HSPD1PTPN2PTPN1PTPN5
SCHEMBL16399885 0.86 HSPD1 (0.56) HDAC6HSPD1PTPN2PTPN1PTPN5
SCHEMBL28605620 0.85 KDM4E (0.74) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL31247990 0.85 KDM4E (0.74) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL1675300 0.85 HDAC6 (0.62) HDAC6HSPD1HSPE1MAPTSMN1; SMN2
SCHEMBL19029465 0.84 HDAC6 (0.73) HDAC6HSPD1PTPN2PTPN1PTPN5
SCHEMBL23542084 0.83 MAPT (0.78) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL6822327 0.82 MAPT (0.59) HDAC6HSPD1PTPN2PTPN1PTPN5
SCHEMBL14020922 0.82 PTPN2 (0.60) HSPD1PTPN2PTPN1PTPN5HSPE1
SCHEMBL19058371 0.81 MAPT (0.71) HDAC6HSPD1PTPN2PTPN1PTPN5

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-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
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
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
EP-1812071-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, USE OF THESE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC Therapeutics, Inc. (US) 2007-08-01 EP disclosed
WO-2006044503-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, USE OF THESE COMPOUNDS FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES 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 (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 HDAC6 836/4885HSPD1 1387/4885PTPN2 2878/4885

“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.