SCHEMBL6938771

SCHEMBL6938771

CC(C)(C)OC(=O)NCCCNC(=O)OCCl

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
CA12 O43570 6/20 0.53
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA9 Q16790 6/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
ACHE P22303 7/20 0.43
EPHX1 P07099 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL21423607 0.93 TDP1 (0.53) TDP1MEN1GAAKMT2ACA12
SCHEMBL569251 0.87 TDP1 (0.74) TDP1MEN1GAAKMT2ACA12
SCHEMBL2880171 0.85 TDP1 (0.54) TDP1MEN1GAAKMT2ACA12
SCHEMBL16270971 0.84 TDP1 (0.61) TDP1MEN1GAAKMT2ACA12
SCHEMBL6935247 0.83 CA12 (0.55) TDP1MEN1GAAKMT2ACA12
SCHEMBL6939488 0.83 TDP1 (0.57) TDP1MEN1GAAKMT2ACA12
SCHEMBL904060 0.83 TDP1 (0.65) TDP1MEN1GAAKMT2ACA12
SCHEMBL3020258 0.82 TDP1 (0.81) TDP1MEN1GAAKMT2ACA12
SCHEMBL21423964 0.82 TDP1 (0.59) TDP1MEN1GAAKMT2ACA12
SCHEMBL423505 0.82 TDP1 (0.59) TDP1MEN1GAAKMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2894149-B1 Cyanoguanidine prodrugs LEO PHARMA AS (DK) 2017-08-02 EP disclosed
EP-1339686-B1 CYANOGUANIDINE PRODRUGS LEO PHARMA AS (DK) 2015-09-16 EP disclosed
EP-2894149-A1 Cyanoguanidine prodrugs LEO PHARMA A/S (DK) 2015-07-15 EP disclosed
EP-1339686-A2 CYANOGUANIDINE PRODRUGS Leo Pharma A/S (DK) 2003-09-03 EP disclosed
US-6525077-B2 Antiproliferative agents LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2003-02-25 US disclosed
US-20020165201-A1 Cyanoguanidine prodrugs LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-11-07 US disclosed
WO-2002042265-A2 CYANOGUANIDINE PRODRUGS LEO PHARMA A/S (DK) 2002-05-30 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-20020165201-A1 Cyanoguanidine prodrugs CBR1, SIGMAR1, ROR1 TDP1 2624/4885MEN1 4379/4885GAA 4017/4885

“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.