SCHEMBL15065050

SCHEMBL15065050

CC(C)(C)OC(=O)C(N)CCN(CCCCN(CCCN(CCCNC(=O)c1ccc(Cl)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GLP1R P43220 1/20 0.39
GCGR P47871 1/20 0.39
LMNA P02545 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL15065020 0.89 CA14 (0.40) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605543 0.87 CA14 (0.46) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL15064801 0.86 CA14 (0.47) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605904 0.84 CA14 (0.46) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL15065051 0.84 MEN1 (0.38) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL19414938 0.80 CA14 (0.41) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL15065019 0.77 CA14 (0.44) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605524 0.76 CA14 (0.45) CA14MEN1KMT2ANPC1RAB9A
SCHEMBL9605864 0.75 STK17B (0.43) CA14MEN1KMT2ASMN1; SMN2DRD2
SCHEMBL9605525 0.74 MEN1 (0.55) MEN1KMT2ANPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2013-07-04 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-20130171067-A1 TECHNETIUM-99m COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS SLC40A1, CDC73, BRCA1 CA14 15/4885MEN1 4/4885KMT2A 3894/4885

“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.