SCHEMBL15065022

SCHEMBL15065022

CC(C)(C)OC(=O)CCC(N)N(CCCCN(CCCN(CCCNC(=O)c1ccc(NN)nc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.37
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP9 P14780 2/20 0.32
MMP12 P39900 2/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP13 P45452 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
GABRA5 P31644 2/20 0.31
AAK1 Q2M2I8 1/20 0.31
NAMPT P43490 2/20 0.31
CYP2D6 P10635 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
NCOR2 Q9Y618 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL15065051 0.90 MEN1 (0.38) CA14NPC1RAB9AKDM4EPOLB
SCHEMBL15065020 0.84 CA14 (0.40) CA14NPC1RAB9AMMP9MMP12
SCHEMBL15065019 0.84 CA14 (0.44) CA14NPC1RAB9AKDM4EPOLB
SCHEMBL9605524 0.83 CA14 (0.45) CA14NPC1RAB9AKDM4EPOLB
SCHEMBL19414952 0.79 GABRA5 (0.39) CA14NPC1RAB9AKDM4EPOLB
SCHEMBL15065050 0.73 CA14 (0.41) CA14NPC1RAB9AKDM4EPOLB
SCHEMBL9605528 0.73 CA14 (0.40) CA14KDM4EAAK1EPHX2
SCHEMBL9605543 0.72 CA14 (0.46) CA14NPC1RAB9AKDM4EGABRA5
SCHEMBL9605527 0.72 GABRA5 (0.48) NPC1RAB9AKDM4EPOLBGABRA5
Hydrochloric Acid SCHEMBL15065211 0.71 GABRA5 (0.47) NPC1RAB9AKDM4EPOLBGABRA5

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 15/4885NPC1 281/4885RAB9A 2707/4885

“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.