SCHEMBL3877844

SCHEMBL3877844

CCCCCSc1nc(N)cc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
SCN5A Q14524 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALOX15 P16050 1/20 0.47
POLB P06746 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3945346 0.94 RAB9A (0.49) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL13425427 0.90 ALOX15 (0.55) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL18333417 0.87 GPR84 (0.50) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL7769184 0.86 RAB9A (0.51) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL3952311 0.82 LMNA (0.46) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL13946391 0.80 SCN9A (0.40) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL11135378 0.78 SMN1; SMN2 (0.59) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL9274344 0.78 LMNA (0.57) SMN1; SMN2LMNAALDH1A1HPGDMAPT
SCHEMBL3879885 0.78 SMN1; SMN2 (0.54) SCN9ASCN5ASMN1; SMN2LMNAALDH1A1
SCHEMBL3526925 0.77 RAB9A (0.53) SMN1; SMN2LMNAALDH1A1HPGDMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
EP-2010553-A1 SUBSTITUTED ADENINES AND THE USES THEREOF AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 WO 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 SCN9A 2997/4885SCN5A 2656/4885SMN1; SMN2 3124/4885

“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.