SCHEMBL3401075

SCHEMBL3401075

CSc1ccc(OCC(C)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
AOC3 Q16853 1/20 0.53
MAPT P10636 6/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 8/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 6/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL2955123 0.85 HPGD (0.50) MAPTHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL27650744 0.85 ALOX15 (0.59) MAOBAOC3MAPTHPGDSMN1; SMN2
SCHEMBL3373804 0.81 HPGD (0.47) MAPTHPGDSMN1; SMN2LMNAKDM4E
SCHEMBL24352748 0.81 MAOB (0.50) MAOBAOC3MAPTHPGDSMN1; SMN2
SCHEMBL19249734 0.80 HPGD (0.46) MAPTHPGDSMN1; SMN2LMNAKDM4E
SCHEMBL11178901 0.80 ALOX15 (0.53) MAOBAOC3MAPTHPGDSMN1; SMN2
SCHEMBL14265184 0.80 RAB9A (0.44) MAPTHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL17285623 0.79 ALDH1A1 (0.64) MAPTHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL28492011 0.79 NPSR1 (0.62) MAOBAOC3MAPTHPGDSMN1; SMN2
SCHEMBL28501266 0.79 ALDH1A1 (0.58) MAOBAOC3MAPTHPGDSMN1; SMN2

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
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 MAOB 41/4885AOC3 2443/4885MAPT 1916/4885

“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.