SCHEMBL830030

SCHEMBL830030

O=C(Oc1ccc2cc(Br)ccc2c1)N1CCOCC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.78
TSHR P16473 2/20 0.78
RAB9A P51151 3/20 0.74
MAPT P10636 2/20 0.74
NPC1 O15118 2/20 0.74
LMNA P02545 1/20 0.74
ATM Q13315 1/20 0.74
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
KDM4E B2RXH2 2/20 0.62
HSD17B10 Q99714 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 5/20 0.56
MEN1 O00255 3/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL30520172 0.86 CYP1A2 (0.71) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL829826 0.85 SMN1; SMN2 (1.00) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL31323057 0.85 SMN1; SMN2 (0.88) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL4598628 0.84 EPHX1 (0.68) SMN1; SMN2TSHRRAB9ANPC1KDM4E
SCHEMBL5652014 0.82 KMT2A (0.76) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL829714 0.80 KMT2A (0.69) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL13342928 0.76 GAA (0.59) SMN1; SMN2TSHRLMNAALDH1A1GAA
SCHEMBL31669212 0.76 SMN1; SMN2 (0.64) SMN1; SMN2TSHRRAB9AMAPTNPC1
SCHEMBL8247308 0.74 CYP1A2 (1.00) SMN1; SMN2TSHRRAB9ANPC1LMNA
SCHEMBL5101418 0.73 KMT2A (0.82) SMN1; SMN2TSHRRAB9ANPC1KDM4E

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 SMN1; SMN2 4842/4885TSHR 4048/4885RAB9A 3160/4885

“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.