SCHEMBL5545347

SCHEMBL5545347

O=C(NCCCN1CCOCC1)c1c(O)c2ncc(Cc3ccc(F)cc3C(F)(F)F)cc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
RAD52 P43351 1/20 0.48
TSHR P16473 2/20 0.46
PARP1 P09874 2/20 0.44
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.41
PDGFRB P09619 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
ULK1 O75385 1/20 0.39
HTR3A P46098 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL5545421 0.96 PARP1 (0.47) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL5546706 0.91 KDM4E (0.53) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL14511031 0.88 KDM4E (0.59) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL5538964 0.86 HDAC3 (0.36) KDM4ERAB9AKMT2A
SCHEMBL5538459 0.86 KDM4E (0.54) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL5546798 0.85 GPR52 (0.38) RAB9AKMT2A
SCHEMBL5545450 0.84 KDM4E (0.52) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL5540956 0.83 TDP1 (0.40) KDM4EPARP1KMT2AALOX15
SCHEMBL5545832 0.82 KDM4E (0.55) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL5545335 0.80 KDM4E (0.47) KDM4EALDH1A1LMNARAD52TSHR

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 6 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
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (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 KDM4E 1268/4885ALDH1A1 3812/4885LMNA 3503/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885ALDH1A1 3073/4885LMNA 4134/4885

“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.