SCHEMBL21311367

SCHEMBL21311367

CCN1c2ccccc2Nc2ccoc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
ALPL P05186 1/20 0.36
TSPO P30536 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.32
HDAC3 O15379 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31

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
SCHEMBL2287889 0.80 GAA (0.48) SMN1; SMN2GAAALPLTSPOALDH1A1
SCHEMBL21311368 0.74 SMN1; SMN2 (0.38) SMN1; SMN2GAA
SCHEMBL10102354 0.70 GAA (0.40) SMN1; SMN2GAAALPLTSPOALDH1A1
SCHEMBL7164942 0.68 GAA (0.46) SMN1; SMN2GAAALDH1A1MEN1KMT2A
SCHEMBL22710664 0.66 GAA (0.42) SMN1; SMN2GAAALPLTSPOALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL30549287 0.66 GAA (0.42) SMN1; SMN2GAAALPLTSPOALDH1A1
SCHEMBL7207830 0.65 GAA (0.39) SMN1; SMN2GAAALPLTSPOALDH1A1
SCHEMBL3302471 0.65 KDM1A (0.63) SMN1; SMN2
SCHEMBL1239067 0.65 KMT2A (0.53) ALDH1A1MEN1KMT2APOLBHTT
SCHEMBL11556888 0.64 ALDH1A1 (0.43) SMN1; SMN2GAAALPLTSPOALDH1A1

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 SMN1; SMN2 959/4885GAA 435/4885ALPL 1363/4885

“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.