SCHEMBL830062

SCHEMBL830062

O=C(Oc1ccc2ccccc2c1Br)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
NCEH1 Q6PIU2 5/20 1.00
NPC1 O15118 5/20 1.00
HPGD P15428 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
HTT P42858 1/20 1.00
TP53 P04637 3/20 0.71
LMNA P02545 3/20 0.71
TDP1 Q9NUW8 3/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
CASP3 P42574 1/20 0.71
SENP8 Q96LD8 1/20 0.71
SENP7 Q9BQF6 1/20 0.71
SENP6 Q9GZR1 1/20 0.71
POLB P06746 1/20 0.69
RXFP1 Q9HBX9 2/20 0.67

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
SCHEMBL830790 0.86 NCEH1 (0.78) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL829960 0.84 NCEH1 (0.74) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL830719 0.84 RAB9A (0.71) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL830131 0.84 SMN1; SMN2 (0.72) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL20887175 0.82 SMN1; SMN2 (0.79) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL828878 0.81 NCEH1 (0.70) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL830289 0.81 NCEH1 (0.69) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL20887181 0.80 NPSR1 (0.70) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL829938 0.80 NCEH1 (0.67) RAB9ASMN1; SMN2NCEH1NPC1HPGD
SCHEMBL829526 0.80 RAB9A (0.67) RAB9ASMN1; SMN2NCEH1NPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production PTC THERAPEUTICS, INC. 2008-10-23 US claimed
EP-1828195-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC Therapeutics, Inc. (US) 2007-09-05 EP claimed
WO-2006065479-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC THERAPEUTICS, INC. (US) 2006-06-22 WO claimed
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
EP-1828195-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC Therapeutics, Inc. (US) 2007-09-05 EP disclosed
WO-2006065479-A2 SUBSTITUTED PHENOLS AS ACTIVE AGENTS INHIBITING VEGF PRODUCTION PTC THERAPEUTICS, INC. (US) 2006-06-22 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-20080261956-A1 Substituted Phenols as Active Agents Inhibiting Vegf Production VEGFA, FLT4, FLT1 RAB9A 3160/4885SMN1; SMN2 4842/4885NCEH1 3211/4885

“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.