SCHEMBL4889055

SCHEMBL4889055

O=C(c1ccc(CNCc2ccccc2)cc1)N(Cc1ccccc1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
USP2 O75604 1/20 0.45
HTT P42858 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
ACHE P22303 2/20 0.44
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
NAMPT P43490 1/20 0.42
BCHE P06276 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
PIK3CB P42338 1/20 0.40
CNR2 P34972 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4749293 0.86 ACHE (0.43) ALDH1A1HDAC8HDAC6ACHEHIF1A
Hydrochloric Acid SCHEMBL4889022 0.85 ACHE (0.42) ALDH1A1HDAC8HDAC6ACHEHIF1A
SCHEMBL4898157 0.82 ALDH1A1 (0.50) ALDH1A1USP2HTTHDAC6BCHE
SCHEMBL14070632 0.80 ALDH1A1 (0.41) ALDH1A1USP2HTTHDAC8HDAC6
SCHEMBL4748285 0.78 SNCA (0.44) ALDH1A1HTTACHENAMPTBCHE
SCHEMBL4748284 0.78 SNCA (0.44) ALDH1A1HTTACHENAMPTBCHE
SCHEMBL14004473 0.78 SNCA (0.44) ALDH1A1HTTACHENAMPTBCHE
SCHEMBL14005185 0.73 TSHR (0.57) ALDH1A1HTTHDAC1SMN1; SMN2POLB
SCHEMBL4743998 0.71 POLB (0.61) ALDH1A1USP2HTTNAMPTSMN1; SMN2
SCHEMBL10654809 0.69 ALDH1A1 (0.55) ALDH1A1HDAC8HDAC6HDAC3HDAC1

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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 (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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 ALDH1A1 1359/4885USP2 4786/4885HTT 4876/4885

“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.