SCHEMBL13611591

SCHEMBL13611591

C=C1OB(c2ccc(CCNS(=O)(=O)c3ccccc3C#N)cc2)OC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
LSS P48449 2/20 0.34
ALDH1A1 P00352 3/20 0.34
NSD2 O96028 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
SFRP1 Q8N474 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
SCHEMBL13604119 0.86 CA1 (0.44) SMN1; SMN2LSSALDH1A1NSD2HTT
SCHEMBL13612192 0.85 CA1 (0.40) SMN1; SMN2ALDH1A1NSD2HTTNPSR1
SCHEMBL13611592 0.85 TP53 (0.40) SMN1; SMN2ALDH1A1NSD2HTTNPSR1
SCHEMBL8288305 0.85 SMN1; SMN2 (0.39) SMN1; SMN2LSSALDH1A1NSD2HTT
SCHEMBL13612184 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1HTTNPSR1KMT2A
SCHEMBL13611590 0.81 ALDH1A1 (0.40) LSSALDH1A1KMT2A
SCHEMBL13612187 0.76 ALDH1A1 (0.42) ALDH1A1KMT2A
SCHEMBL10282788 0.71 LPL (0.40) CA1CA2CA9
SCHEMBL13604132 0.70 LPL (0.47) ALDH1A1NSD2HTTNPSR1KMT2A
SCHEMBL13604122 0.70 LPL (0.47) ALDH1A1HTTNPSR1CA1CA2

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-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 SMN1; SMN2 4724/4885LSS 1830/4885ALDH1A1 2211/4885

“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.