SCHEMBL16010078

SCHEMBL16010078

CN(CCn1c(=O)c(C(=O)NCCOCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21)C(=O)O.NCCOCCO

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
TLR2 O60603 2/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
GPR52 Q9Y2T5 1/20 0.32
CNR2 P34972 2/20 0.32

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
SCHEMBL15163566 0.96 L3MBTL1 (0.38) L3MBTL1MEN1KMT2AHIF1AKDM4E
Monoethanolamine SCHEMBL5546461 0.91 L3MBTL1 (0.39) L3MBTL1MEN1KMT2ATLR2HIF1A
SCHEMBL5541144 0.90 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AHIF1AKDM4E
SCHEMBL5547225 0.90 L3MBTL1 (0.36) L3MBTL1MEN1KMT2ATLR2HIF1A
SCHEMBL5547047 0.89 L3MBTL1 (0.38) L3MBTL1PDE10AMEN1KMT2AHIF1A
SCHEMBL15163635 0.89 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AHIF1AKDM4E
Propylamine SCHEMBL5546750 0.88 L3MBTL1 (0.41) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5545862 0.86 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ATLR2HIF1A
SCHEMBL15163678 0.86 L3MBTL1 (0.43) L3MBTL1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5546941 0.86 L3MBTL1 (0.40) L3MBTL1MEN1KMT2AKDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 L3MBTL1 1411/4885PDE10A 3750/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885PDE10A 3671/4885MEN1 4837/4885

“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.