SCHEMBL13612184

SCHEMBL13612184

C=C1OB(c2ccc(CCNS(=O)(=O)c3ccccc3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
PRMT1 Q99873 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TBXA2R P21731 1/20 0.44
TBXAS1 P24557 1/20 0.44
PPARG P37231 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13612187 0.88 ALDH1A1 (0.42) ALDH1A1TDP1POLBPRMT1TAAR1
SCHEMBL13611590 0.85 ALDH1A1 (0.40) ALDH1A1TDP1POLBPRMT1MEN1
SCHEMBL13611592 0.85 TP53 (0.40) ALDH1A1CA1CA2HTTMAPT
SCHEMBL13612192 0.85 CA1 (0.40) ALDH1A1CA1CA2TDP1HTT
SCHEMBL13604114 0.83 ALDH1A1 (0.56) ALDH1A1CA1CA2TDP1HTT
SCHEMBL13611591 0.83 SMN1; SMN2 (0.35) ALDH1A1CA1CA2HTTKMT2A
SCHEMBL8289277 0.82 ALDH1A1 (0.57) ALDH1A1CA1CA2TDP1HTT
SCHEMBL10282788 0.76 LPL (0.40) CA1CA2
SCHEMBL13184458 0.73 LPL (0.43)
SCHEMBL13604136 0.73 ALDH1A1 (0.68) ALDH1A1CA1CA2HTTPOLB

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 ALDH1A1 2211/4885CA1 1383/4885CA2 3445/4885

“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.