SCHEMBL5545335

SCHEMBL5545335

CN1CCN(CCCNC(=O)c2c(O)c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 3/20 0.46
RAD52 P43351 1/20 0.46
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DRD2 P14416 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 3/20 0.42
PARP1 P09874 1/20 0.41
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 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
SCHEMBL14511031 0.91 KDM4E (0.59) KDM4EALDH1A1KMT2AHSD17B10ALOX15
SCHEMBL5540835 0.89 KDM4E (0.54) KDM4EALDH1A1KMT2AHSD17B10ALOX15
SCHEMBL5545293 0.88 KDM4E (0.55) KDM4EALDH1A1KMT2AHSD17B10ALOX15
SCHEMBL5545450 0.87 KDM4E (0.52) KDM4EALDH1A1LMNARAD52TSHR
SCHEMBL5545648 0.85 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AHSD17B10LMNA
SCHEMBL6061942 0.85 TDP1 (0.46) KDM4EALDH1A1KMT2AHSD17B10ALOX15
SCHEMBL15163541 0.84 TDP1 (0.48) KDM4EALDH1A1KMT2AHSD17B10ALOX15
SCHEMBL15163542 0.83 TDP1 (0.48) KDM4EALDH1A1KMT2AHSD17B10ALOX15
SCHEMBL5538646 0.83 TDP1 (0.47) KDM4EKMT2AHSD17B10ALOX15LMNA
SCHEMBL5546031 0.83 TDP1 (0.52) KDM4EALDH1A1KMT2AHSD17B10ALOX15

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 13 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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP 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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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 KDM4E 1268/4885ALDH1A1 3812/4885KMT2A 502/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885ALDH1A1 3073/4885KMT2A 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.