SCHEMBL4401702

SCHEMBL4401702

NC(=O)OCCCNC(=O)OCc1cncs1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.46
CYP3A4 P08684 10/20 0.44
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43

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
SCHEMBL11983270 0.84 TDP1 (0.53) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4961426 0.83 TDP1 (0.58) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL2736250 0.82 TDP1 (0.57) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14124252 0.81 TDP1 (0.52) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL4544105 0.80 PARP15 (0.56) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL11919310 0.80 NPC1 (0.50) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL10202835 0.80 LMNA (0.58) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL12249474 0.80 RAB9A (0.58) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL893540 0.79 NPC1 (0.51) TDP1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL11919313 0.78 RAB9A (0.48) TDP1LMNARAB9ANPC1SMN1; SMN2

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-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP claimed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP disclosed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 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 (2 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-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR TDP1 610/4885LMNA 3931/4885RAB9A 4006/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR TDP1 610/4885LMNA 3931/4885RAB9A 4006/4885

“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.