SCHEMBL829611

SCHEMBL829611

CN(C(=O)Oc1ccc2cc(Br)ccc2c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.68
L3MBTL1 Q9Y468 5/20 0.59
LMNA P02545 4/20 0.59
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 2/20 0.53
LIPE Q05469 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL829758 0.88 RAB9A (0.63) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL5649397 0.82 RAB9A (0.64) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL829867 0.82 NCEH1 (1.00) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL5647709 0.80 LIPE (0.54) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL5649301 0.80 RAB9A (0.53) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL3276088 0.78 RAB9A (0.75) L3MBTL1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL19182306 0.77 SMN1; SMN2 (0.57) L3MBTL1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL5647008 0.77 ALDH1A1 (0.60) L3MBTL1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10798667 0.77 RAB9A (0.63) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2
SCHEMBL20652825 0.76 LMNA (0.71) NCEH1L3MBTL1LMNARAB9ASMN1; SMN2

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-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-8143257-B2 inhibiting angiogenesis; cancer, diabetic retinopathy, rheumatoid arthritis, psoriasis, atherosclerosis, obesity, chronic inflammation or exudative macular degeneration; 4-(Hydroxy-diphenyl-methyl)-piperidine-1-carboxylic acid 1-bromo-naphthalen-2-yl ester PTC THERAPEUTICS, INC. (US) 2012-03-27 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US disclosed
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 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-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production VEGFA, FLT4, FLT1 NCEH1 3211/4885L3MBTL1 4716/4885LMNA 4326/4885

“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.