SCHEMBL5541019

SCHEMBL5541019

O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC2CCCO2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
KDM4E B2RXH2 8/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 8/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
HIF1A Q16665 1/20 0.40
HPGD P15428 5/20 0.39
TSHR P16473 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 2/20 0.38

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
SCHEMBL5547423 0.92 TSHR (0.42) GAAKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL5545522 0.90 RXFP1 (0.41) GAAKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL5540555 0.89 HIF1A (0.41) KDM4EKMT2AHIF1AMEN1L3MBTL1
SCHEMBL5548068 0.85 FEN1 (0.37) KDM4EKMT2AHIF1AMEN1L3MBTL1
SCHEMBL5545807 0.85 GAA (0.50) GAAKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL5539033 0.84 L3MBTL1 (0.43) KDM4EKMT2ASMN1; SMN2HTTHIF1A
SCHEMBL5541128 0.84 GAA (0.51) GAAKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL5540620 0.84 GAA (0.51) GAAKDM4EKMT2ARAB9ASMN1; SMN2
SCHEMBL5546779 0.83 L3MBTL1 (0.53) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5545559 0.83 L3MBTL1 (0.41) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA

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
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
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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 1268/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 GAA 1077/4885KDM4E 1255/4885KMT2A 819/4885

“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.