SCHEMBL15513446

SCHEMBL15513446

COC(C)O.Nc1cn[nH]c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
PMP22 Q01453 1/20 0.40
NOS2 P35228 1/20 0.39
KCNH2 Q12809 1/20 0.37
CYP3A4 P08684 1/20 0.33
APLNR P35414 2/20 0.32
TSHR P16473 1/20 0.31

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
Methylamine SCHEMBL27463181 0.80 LMNA (0.52) LMNAAPEX1PMP22NOS2KCNH2
Hydrochloric Acid SCHEMBL4562672 0.80
SCHEMBL165068 0.80
SCHEMBL27843059 0.80 LMNA (0.50) LMNAAPEX1PMP22NOS2KCNH2
Hydrochloric Acid SCHEMBL15476008 0.80
SCHEMBL28192357 0.78
Valine SCHEMBL5254090 0.73 SLC7A5 (0.50) LMNAAPEX1PMP22NOS2KCNH2
SCHEMBL23586437 0.67
Trifluoroacetic Acid SCHEMBL22573064 0.67 HRH4 (0.37) LMNAAPEX1PMP22NOS2KCNH2
Hydrochloric Acid SCHEMBL3886891 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238644-B2 VEGFR3 inhibitors CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-19 US disclosed
US-20160009686-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2016-01-14 US disclosed
US-20140073620-A1 VEGFR3 INHIBITORS CANCER THERAPEUTICS CRC PTY LIMITED (AU) 2014-03-13 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-20160009686-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR LMNA 2578/4885APEX1 4751/4885PMP22 2541/4885
US-20140073620-A1 VEGFR3 INHIBITORS FLT4, FLT1, KDR LMNA 2578/4885APEX1 4751/4885PMP22 2541/4885

“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.