SCHEMBL5097622

SCHEMBL5097622

CC(C)(C)OC(=O)NCCCCCCNC(=S)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 1/20 0.49
POLB P06746 3/20 0.48
MEN1 O00255 4/20 0.48
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
QPCT Q16769 1/20 0.46
FPR3 P25089 1/20 0.46
FPR2 P25090 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
SCHEMBL5100819 0.99 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1258720 0.87 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2RAB9ATDP1
SCHEMBL4396662 0.86 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8271414 0.85 TDP1 (0.56) TDP1CA1CA2KMT2AGAA
SCHEMBL8271418 0.85 TDP1 (0.56) TDP1CA1CA2KMT2AGAA
SCHEMBL31203431 0.85 CA1 (0.64) TDP1CA1CA2GAALMNA
SCHEMBL8271413 0.84 TDP1 (0.54) TDP1CA1CA2KMT2AGAA
SCHEMBL4396949 0.84 KMT2A (0.64) ALDH1A1MAPTSMN1; SMN2CA1CA2
SCHEMBL4392250 0.83 KMT2A (0.54) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4394067 0.82 LMNA (0.60) ALDH1A1MAPTSMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368605-B2 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-05-06 US disclosed
US-20060069100-A1 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-03-30 US disclosed
EP-1575912-A1 VARIOUSLY SUBSTITUTED DERIVATIVES OF GUANIDINE, AND THEIR USE AS MEDICINES WITH ANTI-DIABETES AND/OR ANTI-OBESITY ACTIVITY SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2005-09-21 EP disclosed
WO-2004054967-A1 VARIOUSLY SUBSTITUTED DERIVATIVES OF GUANIDINE, AND THEIR USE AS MEDICINES WITH ANTI-DIABETES AND/OR ANTI-OBESITY ACTIVITY SIGMA TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-07-01 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-20060069100-A1 Variously substituted derivatives of guanidine, and their use as medicines with anti-diabetes and/or anti-obesity activity GCKR, GPR119, GCG ALDH1A1 2247/4885MAPT 3995/4885SMN1; SMN2 2393/4885

“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.