SCHEMBL5545829

SCHEMBL5545829

O=[N+]([O-])c1cc(Cc2ccc(F)c(F)c2)cnc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 2/20 0.36
RECQL P46063 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
BLM P54132 1/20 0.36
CASP6 P55212 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH3A1 P30838 1/20 0.36
VCAM1 P19320 1/20 0.35

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
SCHEMBL5547199 0.84 ALDH1A1 (0.40) SNCAIDO1TDO2ALDH1A1POLB
SCHEMBL5538418 0.82 FYN (0.40) SNCAIDO1TDO2ALDH1A1LMNA
SCHEMBL5041243 0.81 MAPT (0.39) SNCAIDO1TDO2ALDH1A1POLB
SCHEMBL5540831 0.81 ALDH1A1 (0.37) SNCAIDO1TDO2ALDH1A1POLB
SCHEMBL5547391 0.80 LMNA (0.41) IDO1TDO2ALDH1A1POLBLMNA
SCHEMBL14065340 0.80 ALDH1A1 (0.42) ALDH1A1POLBLMNARECQLMAPT
SCHEMBL27667089 0.79 CYP4F2 (0.38) IDO1TDO2ALDH1A1LMNARECQL
SCHEMBL14880650 0.76 ALDH1A1 (0.60) SNCAALDH1A1LMNARECQLMAPT
SCHEMBL27686179 0.73 POLB (0.44) ALDH1A1POLBLMNAMAPTTDP1
SCHEMBL5038107 0.71 PIN1 (0.51) ALDH1A1POLBLMNAMAPTMEN1

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 SNCA 3156/4885IDO1 797/4885TDO2 3035/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 SNCA 3609/4885IDO1 771/4885TDO2 3895/4885

“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.