SCHEMBL830239

SCHEMBL830239

O=C(Oc1cc2ccccc2cn1)N1CCCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 7/20 0.49
NOTUM Q6P988 1/20 0.49
TSHR P16473 5/20 0.48
POLB P06746 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL829467 0.93 RAB9A (0.51) SMN1; SMN2ALDH1A1NOTUMTSHRPOLB
SCHEMBL829013 0.77 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1POLBMEN1KMT2A
SCHEMBL829632 0.76 POLB (0.53) SMN1; SMN2ALDH1A1TSHRPOLBMEN1
SCHEMBL829334 0.76 LIPE (0.56) SMN1; SMN2ALDH1A1NOTUMTSHRMEN1
SCHEMBL7601844 0.74 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1NOTUMTSHRMEN1
SCHEMBL7217123 0.74 KMT2A (0.65) SMN1; SMN2ALDH1A1NOTUMTSHRMEN1
SCHEMBL830008 0.74 HTR3A (0.50) ALDH1A1TSHRPOLBHPGDL3MBTL1
SCHEMBL829754 0.73 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1NOTUMTSHRMEN1
SCHEMBL926908 0.72 NOTUM (0.69) SMN1; SMN2ALDH1A1NOTUMTSHRMEN1
SCHEMBL30039812 0.72 NOTUM (0.69) SMN1; SMN2ALDH1A1NOTUMTSHRMEN1

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 7 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 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

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 4842/4885ALDH1A1 936/4885NOTUM 3025/4885

“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.