SCHEMBL25765296

SCHEMBL25765296

CCOC(=O)c1cccc(-n2nc(C)c(C)c2CO)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDE4D Q08499 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE4B Q07343 1/20 0.47
ALOX15 P16050 1/20 0.47
NPBWR1 P48145 1/20 0.46
MCHR1 Q99705 1/20 0.46
ALOX5 P09917 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
GAA P10253 1/20 0.45
JMJD6 Q6NYC1 1/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL25765320 0.88 NPBWR1 (0.49) ALDH1A1LMNASMN1; SMN2PDE4DKMT2A
SCHEMBL21935049 0.79 NPBWR1 (0.46) ALDH1A1LMNASMN1; SMN2KMT2AALOX15
SCHEMBL4295664 0.78 KMT2A (0.56) ALDH1A1LMNASMN1; SMN2KMT2AALOX15
SCHEMBL7465575 0.76 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2PDE4DKMT2APDE4B
SCHEMBL14454774 0.75 NPBWR1 (0.53) ALDH1A1LMNASMN1; SMN2KMT2AALOX15
SCHEMBL2085500 0.75 ATM (0.47) ALDH1A1LMNASMN1; SMN2PDE4DKMT2A
SCHEMBL25765315 0.74 NPBWR1 (0.46) ALDH1A1LMNASMN1; SMN2PDE4DKMT2A
SCHEMBL398334 0.74 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2KMT2AALOX15
SCHEMBL12843980 0.73 ALOX15 (0.52) ALDH1A1LMNASMN1; SMN2KMT2AALOX15
SCHEMBL20502220 0.73 PDE4D (0.74) ALDH1A1PDE4DKMT2APDE4BNPSR1

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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2023-07-06 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-20230212157-A1 PYRAZOLE DERIVATIVES FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCC5, ABCC1 ALDH1A1 1738/4885LMNA 4394/4885SMN1; SMN2 4800/4885

“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.