SCHEMBL5545341

SCHEMBL5545341

CCOC(=O)c1c(O)c2ncc(Cc3c(F)cc(F)cc3F)cc2n(C)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 3/20 0.38
PKM P14618 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
ALOX15 P16050 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34

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
SCHEMBL4714636 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTPKMGAA
SCHEMBL5545319 0.87 KDM4E (0.34) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL5538699 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTPKMGAA
SCHEMBL14067541 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTPKMGAA
SCHEMBL14511060 0.83 MEN1 (0.40) KDM4EMEN1KMT2ANPC1
SCHEMBL14536651 0.82 MEN1 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14076857 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPKMGAA
SCHEMBL4894901 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTPKMGAA
SCHEMBL14536652 0.81 KDM4E (0.47) KDM4EMEN1KMT2ANPC1
SCHEMBL14067512 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPKMGAA

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 ALDH1A1 3812/4885KDM4E 1268/4885MAPT 2173/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 ALDH1A1 3073/4885KDM4E 1255/4885MAPT 949/4885

“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.