SCHEMBL3614731

SCHEMBL3614731

CC(C)(C)[Si](C)(C)OCCN(C#N)c1ccc(NC(=O)c2nccnc2NC(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.37
NAMPT P43490 2/20 0.37
KMT2A Q03164 3/20 0.36
NT5E P21589 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL4881051 0.86 RAB9A (0.38) RAB9ANPC1SMN1; SMN2KMT2AMAPK1
SCHEMBL3621276 0.83 NPC1 (0.44) RAB9ANPC1SMN1; SMN2NAMPTKMT2A
SCHEMBL3619771 0.82 NR1H4 (0.45) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4881687 0.82 SIRT2 (0.37) RAB9ANPC1SMN1; SMN2SIRT2NAMPT
SCHEMBL3621078 0.82 NAMPT (0.42) RAB9ANPC1SMN1; SMN2NAMPTKMT2A
SCHEMBL4880879 0.81 RAB9A (0.37) RAB9ANPC1SMN1; SMN2SIRT2KMT2A
SCHEMBL4880731 0.81 MAPT (0.36) RAB9ANPC1SMN1; SMN2SIRT2KDM4E
SCHEMBL4878081 0.80 KMT2A (0.38) RAB9ANPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL4880920 0.79 SCN9A (0.38) RAB9ANPC1SIRT2KMT2AMAPK1
SCHEMBL4878149 0.79 LMNA (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004292-A1 Iminooxazolidine Derivatives and Their Use BAYER HEALTHCARE AG (DE) 2010-01-07 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 (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-20100004292-A1 Iminooxazolidine Derivatives and Their Use PPOX, XDH, PNPO RAB9A 3775/4885NPC1 2710/4885SMN1; SMN2 1729/4885

“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.