SCHEMBL829714

SCHEMBL829714

O=C(Oc1ccc2cc(Br)ccc2c1Br)N1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.69
RXFP1 Q9HBX9 1/20 0.69
NCEH1 Q6PIU2 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 2/20 0.55
NPC1 O15118 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
CYP2C19 P33261 1/20 0.55
TP53 P04637 1/20 0.52
TSHR P16473 3/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL830131 0.87 SMN1; SMN2 (0.72) KMT2ARXFP1NCEH1SMN1; SMN2RAB9A
SCHEMBL830790 0.85 NCEH1 (0.78) KMT2ARXFP1NCEH1SMN1; SMN2RAB9A
SCHEMBL830030 0.80 SMN1; SMN2 (0.78) KMT2ASMN1; SMN2RAB9AHTTNPC1
SCHEMBL13342928 0.79 GAA (0.59) KMT2ASMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL30520172 0.72 CYP1A2 (0.71) KMT2ASMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL20886964 0.71 TP53 (0.66) KMT2ANCEH1SMN1; SMN2RAB9AHTT
SCHEMBL830062 0.71 RAB9A (1.00) KMT2ARXFP1NCEH1SMN1; SMN2RAB9A
SCHEMBL4598628 0.70 EPHX1 (0.68) KMT2ASMN1; SMN2RAB9ANPC1CYP1A2
SCHEMBL828878 0.70 NCEH1 (0.70) RXFP1NCEH1SMN1; SMN2RAB9AHTT
SCHEMBL13342945 0.69 TP53 (0.62) KMT2ANCEH1SMN1; SMN2RAB9AHTT

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 KMT2A 3045/4885RXFP1 827/4885NCEH1 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.