SCHEMBL5717618

SCHEMBL5717618

COc1nc2ccccc2nc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
MAPT P10636 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HDAC6 Q9UBN7 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 2/20 0.51
CDK9 P50750 1/20 0.48
DYRK1A Q13627 1/20 0.48
ALOX15 P16050 2/20 0.47
PIM1 P11309 2/20 0.45
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL31137919 1.00 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2HDAC6L3MBTL1
SCHEMBL5189809 0.85 HDAC6 (0.50) ALDH1A1MAPTSMN1; SMN2HDAC6L3MBTL1
SCHEMBL15958629 0.82 MAPT (0.54) MAPT
SCHEMBL5789220 0.81 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2HDAC6L3MBTL1
SCHEMBL29860539 0.81 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KDM4ECDK9
SCHEMBL351486 0.81 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KDM4ECDK9
SCHEMBL15958625 0.81 HDAC6 (0.47) ALDH1A1MAPTSMN1; SMN2HDAC6L3MBTL1
SCHEMBL335134 0.80 ALDH1A1 (0.60) ALDH1A1MAPTSMN1; SMN2HDAC6L3MBTL1
SCHEMBL2023364 0.80 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2HDAC6L3MBTL1KDM4E
SCHEMBL20537546 0.80 HRH4 (0.50) ALDH1A1MAPTSMN1; SMN2KDM4ECDK9

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
WO-2005019168-A2 FLUORINATED LYSINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-03-03 WO claimed
US-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors PFIZER INC 2005-02-24 US claimed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 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 (3 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-20050043292-A1 Fluorinated lysine derivatives as dipeptidyl peptidase IV inhibitors DPP4, DPP7, ALPI ALDH1A1 313/4885MAPT 2567/4885SMN1; SMN2 2781/4885
US-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MAPT 3557/4885SMN1; SMN2 3554/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 ALDH1A1 2549/4885MAPT 3557/4885SMN1; SMN2 3554/4885

“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.