SCHEMBL5545807

SCHEMBL5545807

O=C(O)NCCn1c(=O)c(C(=O)NCC2CCCO2)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
KDM4E B2RXH2 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAB9A P51151 3/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 8/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 2/20 0.43
HPGD P15428 4/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
RXFP1 Q9HBX9 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL5546791 0.96 GAA (0.48) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5541128 0.93 GAA (0.51) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5540620 0.92 GAA (0.51) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5545860 0.91 GAA (0.49) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5547258 0.91 GAA (0.47) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5547222 0.91 GAA (0.49) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5546785 0.88 GAA (0.48) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5545346 0.88 KDM4E (0.51) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5547270 0.88 GAA (0.47) GAAKDM4ESMN1; SMN2RAB9AKMT2A
SCHEMBL5538534 0.86 GAA (0.46) GAAKDM4ESMN1; SMN2RAB9AKMT2A

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 3 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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 GAA 2514/4885KDM4E 1268/4885SMN1; SMN2 4504/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GAA 1077/4885KDM4E 1255/4885SMN1; SMN2 4786/4885

“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.