SCHEMBL5538418

SCHEMBL5538418

NC(=O)c1ncc(Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.40
LMNA P02545 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GPR52 Q9Y2T5 1/20 0.37
RECQL P46063 1/20 0.37
VNN1 O95497 1/20 0.37
IDO1 P14902 2/20 0.36
TDO2 P48775 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.35
RPS6KB1 P23443 2/20 0.35
AKT1 P31749 1/20 0.35
KCNMA1 Q12791 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
AURKA O14965 1/20 0.34
SNCA P37840 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
SCHEMBL5547391 0.86 LMNA (0.41) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL5545829 0.82 SNCA (0.40) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL5547199 0.80 ALDH1A1 (0.40) ALDH1A1IDO1TDO2MAPTSNCA
SCHEMBL27667089 0.78 CYP4F2 (0.38) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL5540831 0.77 ALDH1A1 (0.37) ALDH1A1IDO1TDO2MAPTSNCA
SCHEMBL4584199 0.73 LMNA (0.44) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL14880650 0.72 ALDH1A1 (0.60) LMNAMEN1KMT2AALDH1A1RECQL
SCHEMBL5548056 0.72 GAA (0.48) FYNALDH1A1GPR52VNN1MAPT
SCHEMBL27686179 0.70 POLB (0.44) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL2004531 0.68 ALDH1A1 (0.41) LMNAALDH1A1MAPTKCNMA1

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 7 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
CN-1976915-A HIV integrase inhibitors SMITHKLINE BEECHAM CORP (US) 2007-06-06 CN 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 FYN 3019/4885LMNA 3503/4885MEN1 4802/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 FYN 2312/4885LMNA 4134/4885MEN1 4837/4885

“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.