SCHEMBL6088095

SCHEMBL6088095

CCOC(=O)c1sc(NC(N)=NC(=O)c2ccc(C(=O)N3CCSCC3)cc2)nc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 2/20 0.50
ALDH1A1 P00352 7/20 0.49
NPC1 O15118 6/20 0.49
RXFP1 Q9HBX9 3/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 5/20 0.49
NPSR1 Q6W5P4 3/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CSNK1D P48730 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6087021 0.90 CSNK1D (0.56) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6086620 0.86 ALDH1A1 (0.60) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6087865 0.84 ALDH1A1 (0.58) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6088091 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6089264 0.81 ALDH1A1 (0.54) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6091208 0.80 ALDH1A1 (0.56) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6087663 0.78 ALDH1A1 (0.55) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6087544 0.77 ALDH1A1 (0.50) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6086989 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EHTTALDH1A1NPC1
SCHEMBL6088539 0.76 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EHTTALDH1A1NPC1

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-7109224-B2 Acyl guanidine compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2006-09-19 US disclosed
US-20040132750-A1 Acyl guanidine compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 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-20040132750-A1 Acyl guanidine compounds and use thereof ARGLU1, GUCY1A1, GMPS SMN1; SMN2 957/4885KDM4E 841/4885HTT 3027/4885

“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.