SCHEMBL4929694

SCHEMBL4929694

O=C(O)CCc1nc2cccnc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.53
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
AKR1B1 P15121 1/20 0.50
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
PDK1 Q15118 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM1 P11229 1/20 0.40
PKM P14618 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL7831752 0.89 ALOX15 (0.57) HDAC6ALOX15HTTSMN1; SMN2AKR1B1
SCHEMBL15920638 0.78 POLB (0.59) HTTSMN1; SMN2AKR1B1HPGDRAB9A
SCHEMBL7835421 0.77 HDAC1 (0.49) HDAC6LMNAPKMHSD17B10ALOX5
SCHEMBL14421725 0.77 PDK1 (0.53) ALOX15HTTSMN1; SMN2AKR1B1HPGD
SCHEMBL1269672 0.76 SMN1; SMN2 (0.82) HDAC6ALOX15HTTSMN1; SMN2HPGD
SCHEMBL4933138 0.76 HDAC6 (0.53) HDAC6ALOX15HTTSMN1; SMN2HPGD
SCHEMBL4364056 0.74 MAPT (0.54) HTTSMN1; SMN2AKR1B1RAB9ALMNA
SCHEMBL7829595 0.74 L3MBTL1 (0.49) LMNAPOLBL3MBTL1MAPTALDH1A1
SCHEMBL2175795 0.74 PDK1 (0.53) HTTSMN1; SMN2AKR1B1HPGDRAB9A
SCHEMBL2179891 0.74 UBE2T (0.55) HTTSMN1; SMN2AKR1B1HPGDRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 HDAC6 782/4885ALOX15 3100/4885HTT 4829/4885

“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.