SCHEMBL5166743

SCHEMBL5166743

COc1c(C#N)c(OC)c2ccccc2c1CI

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IMPDH2 P12268 1/20 0.37
IMPDH1 P20839 1/20 0.37
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
SQOR Q9Y6N5 2/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCL1 Q07820 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL5166619 0.84 KDM4E (0.44) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL4958710 0.80 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL31171419 0.80 KDM4E (0.61) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL4874905 0.74 CLK1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL6603036 0.71 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1SMN1; SMN2MEN1
SCHEMBL5167234 0.70 ALDH1A1 (0.42) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL4657378 0.69 ALDH1A1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2
SCHEMBL6605643 0.68 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL6607689 0.67 ALDH1A1 (0.37) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL15805524 0.67 NQO1 (0.48) KDM4EALDH1A1MAPK1SMN1; SMN2IMPDH2

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
EP-1581495-B1 4-aryl-4-(naphth-1-ylmethylamino)methyl-piperidine compounds and their use ASTRAZENECA AB (SE) 2007-04-18 EP disclosed
US-20060058352-A1 Piperidine amine compounds and their use ASTRAZENECA AB (SE) 2006-03-16 US disclosed
US-20050245572-A1 Naphthyl ether compounds and their use OLINK AB (SE) 2005-11-03 US disclosed
EP-1581495-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-10-05 EP disclosed
EP-1546101-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE AstraZeneca AB (SE) 2005-06-29 EP disclosed
WO-2004056771-A1 PIPERIDINE AMINE COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2004022539-A1 NAPHTHYL ETHER COMPOUNDS AND THEIR USE ASTRAZENECA AB (SE) 2004-03-18 WO 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 (2 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-20060058352-A1 Piperidine amine compounds and their use HRH3, H1-5, H1-0 KDM4E 197/4885ALDH1A1 153/4885MAPK1 3651/4885
US-20050245572-A1 Naphthyl ether compounds and their use NR4A1, NPM1, H1-4 KDM4E 348/4885ALDH1A1 2264/4885MAPK1 4291/4885

“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.