SCHEMBL3445951

SCHEMBL3445951

NCCCCCC(N)C(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
MEN1 O00255 1/20 0.54
ABL1 P00519 1/20 0.54
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54
IDE P14735 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54
RIN1 Q13671 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HLCS P50747 6/20 0.53
CA12 O43570 7/20 0.41
CA1 P00915 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
FOLH1 Q04609 1/20 0.39

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
SCHEMBL6394025 0.91 HLCS (0.66) TDP1MEN1ABL1LMNAPKM
SCHEMBL14905687 0.90 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL1270219 0.90 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL3924414 0.89 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
Bromide SCHEMBL2125952 0.89 TDP1 (0.59) TDP1MEN1ABL1LMNAPKM
SCHEMBL1527196 0.86 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL4454446 0.86 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL4740139 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL9194081 0.84 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
SCHEMBL2350071 0.83 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM

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-7816388-B2 Biotin diaminoderivatives and their conjugates with macrocyclic chelating agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-10-19 US disclosed
EP-1928508-B1 BIOTIN DIAMINODERIVATIVES AND THEIR CONJUGATES WITH MACROCYCLIC CHELATING AGENTS SIGMA TAU IND FARMACEUTI (IT) 2009-11-11 EP disclosed
US-20080249152-A1 Biotin Diaminoderivatives and Their Conjugates With Macrocyclic Chelating Agents SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-10-09 US disclosed
EP-1928508-A1 BIOTIN DIAMINODERIVATIVES AND THEIR CONJUGATES WITH MACROCYCLIC CHELATING AGENTS SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-06-11 EP disclosed
WO-2007039437-A1 BIOTIN DIAMINODERIVATIVES AND THEIR CONJUGATES WITH MACROCYCLIC CHELATING AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-04-12 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-20080249152-A1 Biotin Diaminoderivatives and Their Conjugates With Macrocyclic Chelating Agents BTD, HLCS, SLC19A2 TDP1 2934/4885MEN1 136/4885ABL1 3222/4885

“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.