SCHEMBL893538

SCHEMBL893538

CC(C)(C)C(CCNC(=O)OCc1cncs1)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP3A4 P08684 11/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.41
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL2736245 0.77 RAB9A (0.53) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL11919310 0.76 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL12249474 0.76 RAB9A (0.58) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL2736250 0.76 TDP1 (0.57) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL4401702 0.76 TDP1 (0.51) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL893539 0.75 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL893540 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL11919313 0.74 RAB9A (0.48) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL10202835 0.73 LMNA (0.58) NPC1RAB9ASMN1; SMN2TDP1CYP3A4
SCHEMBL11983270 0.73 TDP1 (0.53) NPC1RAB9ASMN1; SMN2TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 US 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR NPC1 913/4885RAB9A 4006/4885SMN1; SMN2 4288/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR NPC1 913/4885RAB9A 4006/4885SMN1; SMN2 4288/4885

“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.