SCHEMBL833353

SCHEMBL833353

O=C(Oc1ccc([N+](=O)[O-])cc1)Oc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
MCL1 Q07820 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MGLL Q99685 1/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HTR2A P28223 1/20 0.48
BCL9 O00512 1/20 0.48

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
SCHEMBL30068475 0.88 ALDH1A1 (0.52) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL6322393 0.85 SMN1; SMN2 (0.64) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL20377184 0.85 SMN1; SMN2 (0.64) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL26374 0.85 GAA (0.65) ALDH1A1GAAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7895043 0.83 GAA (0.62) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL1809377 0.83 KMT2A (0.66) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL9476190 0.83 F2 (0.57) ALDH1A1GAAKDM4EKMT2ASMN1; SMN2
SCHEMBL6395093 0.82 HTR2A (0.62) ALDH1A1GAAKDM4EMAPTKMT2A
SCHEMBL28246249 0.82 MAPT (0.53) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL1808182 0.81 KMT2A (0.65) ALDH1A1KDM4EMAPTKMT2AMEN1

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 4 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-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 ALDH1A1 936/4885GAA 805/4885KDM4E 358/4885

“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.