SCHEMBL2216049

SCHEMBL2216049

CC(C(=O)O)c1cc(O)n(C)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 2/20 0.34
APAF1 O14727 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
PTGS2 P35354 9/20 0.33
PTGS1 P23219 7/20 0.33
MAPT P10636 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
SLC22A6 Q4U2R8 2/20 0.32
RECQL P46063 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8763937 0.81 ALDH1A1 (0.34) HCAR3HCAR2LMNAALDH1A1GAA
SCHEMBL2292607 0.77 AKR1C3 (0.38) LMNAAPAF1POLBALDH1A1KDM4E
SCHEMBL31057116 0.74 HDAC6 (0.44) POLBALDH1A1KDM4EPTGS2MAPT
SCHEMBL1364221 0.74
SCHEMBL17295183 0.71 ALDH1A1 (0.31) ALDH1A1KDM4EGAACYP3A4HPGD
SCHEMBL2152111 0.69 HCAR2 (0.41) HCAR3HCAR2POLBALDH1A1KDM4E
SCHEMBL908905 0.69 KDM4C (0.40) LMNAALDH1A1KDM4EPTGS2PTGS1
SCHEMBL10429623 0.69 LMNA (0.45) LMNAAPAF1POLBALDH1A1KDM4E
SCHEMBL18770517 0.68 ALB (0.33) LMNAPOLBALDH1A1KDM4EGAA
SCHEMBL316007 0.67 ALDH1A1 (0.57) HCAR3HCAR2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349261-A2 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GenKyoTex SA (CH) 2011-08-03 EP disclosed
US-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2011-07-21 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-20110178081-A1 PYRAZOLO PYRIDINE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX4, CYBB HCAR3 1488/4885HCAR2 914/4885LMNA 4386/4885

“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.