SCHEMBL3932801

SCHEMBL3932801

COC(=O)CNS(=O)(=O)c1ccc(N)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 2/20 0.57
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NPC1 O15118 1/20 0.57
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL3933543 0.80 CA1 (0.59) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL28677877 0.79 KDM4E (0.71) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL6791925 0.78 ALDH1A1 (0.57) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL8763593 0.77 ALDH1A1 (0.56) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL6563384 0.77 GAA (0.46) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL24762895 0.76 ALDH1A1 (0.71) GAAALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL12010052 0.76 ALDH1A1 (0.56) GAAALDH1A1KDM4ECA1CA2
SCHEMBL10029352 0.75 TSHR (0.60) ALDH1A1SMN1; SMN2HPGDTSHRCA1
SCHEMBL10062793 0.75 GAA (0.45) GAAALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL10696310 0.74 CYP2D6 (0.63) GAAALDH1A1SMN1; SMN2HPGDRAB9A

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 GAA 872/4885ALDH1A1 1426/4885SMN1; SMN2 3501/4885

“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.