SCHEMBL4248422

SCHEMBL4248422

COc1nc(C)c(C(=O)O)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
P2RX3 P56373 1/20 0.36
ALDH1A1 P00352 4/20 0.36
PDE10A Q9Y233 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 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
SCHEMBL10864208 0.88 TSHR (0.41) LMNATDP1MEN1KMT2AKDM4E
SCHEMBL29164540 0.77 TDP1 (0.46) LMNATDP1KDM4EL3MBTL1CA12
SCHEMBL5514920 0.75 ALDH1A1 (0.41) TDP1MEN1KMT2AKDM4EP2RX3
SCHEMBL3747564 0.74 TSHR (0.43) MEN1KMT2AKDM4ECA12CA1
SCHEMBL4249930 0.73 HSD17B10 (0.46) LMNATDP1MEN1KMT2AKDM4E
SCHEMBL62780 0.72 KDM4E (0.40) LMNAMEN1KMT2AKDM4EL3MBTL1
SCHEMBL29774210 0.72 MEN1 (0.39) TDP1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL3543372 0.71 ALDH1A1 (0.47) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL30843853 0.71 P2RX3 (0.39) TDP1MEN1KMT2AKDM4EL3MBTL1
SCHEMBL26967933 0.71 P2RX3 (0.39) TDP1MEN1KMT2AKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896023-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-03-12 EP claimed
WO-2006138259-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO claimed
US-7498346-B2 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide GENZYME CORPORATION (US) 2009-03-03 US disclosed
US-20050277668-A1 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide ANORMED INC. 2005-12-15 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-20050277668-A1 viricide, antiinflammatory agent; autoimmune diseases; protective effects against infection of target cells by a human immunodeficiency virus (HIV); 6-Chloro-N-((R)-3-{4-[(4-methoxy-phenyl)-(4-methyl-pyridin-3-ylmethyl)-amino]-piperidin-1-yl}-butyl)-2,4-dimethyl-nicotinamide CCR5, CCR2, CXCR3 LMNA 3892/4885TDP1 2443/4885MEN1 4165/4885

“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.