SCHEMBL829706

SCHEMBL829706

O=C(Nc1ccc2ccccc2c1Br)N1CCN(c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.73
HSD17B10 Q99714 7/20 0.73
ALDH1A1 P00352 7/20 0.73
POLB P06746 3/20 0.73
PKM P14618 1/20 0.60
MAPT P10636 4/20 0.53
HTT P42858 3/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 1/20 0.53
HCRTR1 O43613 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HCAR2 Q8TDS4 2/20 0.53
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52

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
SCHEMBL830412 0.85 KDM4E (0.73) KDM4EHSD17B10ALDH1A1POLBPKM
SCHEMBL829713 0.84 RAB9A (0.56) KDM4EHSD17B10ALDH1A1POLBPKM
SCHEMBL830754 0.78 KDM4E (0.62) KDM4EHSD17B10ALDH1A1POLBPKM
SCHEMBL829549 0.78 FAAH (0.61) KDM4EHSD17B10ALDH1A1POLBKMT2A
SCHEMBL829045 0.77 ALDH1A1 (0.50) KDM4EHSD17B10ALDH1A1POLBMAPT
SCHEMBL830344 0.75 KDM4E (0.57) KDM4EHSD17B10ALDH1A1POLBPKM
SCHEMBL22798955 0.75 IMPDH2 (0.50) KDM4EALDH1A1POLBMAPTKMT2A
SCHEMBL25404026 0.74 KDM4E (0.60) KDM4EHSD17B10ALDH1A1POLBPKM
SCHEMBL31083674 0.74 KDM4E (0.60) KDM4EHSD17B10ALDH1A1POLBPKM
SCHEMBL25402636 0.73 KDM4E (0.63) KDM4EHSD17B10ALDH1A1POLBPKM

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 5 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

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 KDM4E 358/4885HSD17B10 2473/4885ALDH1A1 936/4885

“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.