SCHEMBL2525596

SCHEMBL2525596

CC(CCC(=O)NN=C(c1ccccc1)c1ccccc1)OS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
KDM4E B2RXH2 3/20 0.42
RECQL P46063 2/20 0.39
GAA P10253 2/20 0.37

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
SCHEMBL5236899 0.80 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL5236906 0.80 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2523003 0.80 ALDH1A1 (0.58) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2527646 0.79 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2524844 0.79 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL15876445 0.79 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL2522823 0.73 ALDH1A1 (0.56) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL8352039 0.73 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL18222999 0.72 ALDH1A1 (0.67) ALDH1A1RAB9ASMN1; SMN2NPSR1MEN1
SCHEMBL9939048 0.70 LMNA (0.53) ALDH1A1RAB9ASMN1; SMN2KMT2A

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
US-8507472-B2 Bicyclic pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2013-08-13 US disclosed
US-20110251178-A1 Bicyclic Pyridinylpyrazoles BAYER CROPSCIENCE AG (DE) 2011-10-13 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-20110251178-A1 Bicyclic Pyridinylpyrazoles PLPBP, PNPO, PIR ALDH1A1 1179/4885RAB9A 3773/4885SMN1; SMN2 4472/4885

“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.