SCHEMBL1318665

SCHEMBL1318665

Nc1nc(Cl)cc(N2CCC[C@H](C(=O)O)C2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
HRH4 Q9H3N8 4/20 0.46
NOTUM Q6P988 5/20 0.45
PDPK1 O15530 4/20 0.43
ROCK1 Q13464 3/20 0.43
AURKB Q96GD4 3/20 0.43
AURKA O14965 2/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SHMT2 P34897 1/20 0.41

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
SCHEMBL1317810 0.83 AURKA (0.63) LMNAKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL1318722 0.83 AURKA (0.63) LMNAKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL3720386 0.83 AURKA (0.63) LMNAKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL1317503 0.83 PDPK1 (0.61) LMNAALDH1A1HSD17B10PDPK1ROCK1
SCHEMBL21540812 0.81 GPBAR1 (0.51) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL27738442 0.79 LMNA (0.53) LMNAKMT2AMEN1CYP1A2CYP2D6
SCHEMBL4000534 0.79 KDM4E (0.51) LMNAKMT2AKDM4EMEN1ALDH1A1
SCHEMBL23582548 0.78 HRH3 (0.52) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL23582547 0.78 HRH3 (0.52) KMT2AKDM4EMEN1ALDH1A1HSD17B10
SCHEMBL1318206 0.77 LMNA (0.48) LMNAKMT2ACYP1A2CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP disclosed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO 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-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 LMNA 4686/4885KMT2A 2173/4885KDM4E 167/4885

“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.