SCHEMBL5545511

SCHEMBL5545511

O=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCNC(=O)N2CCOCC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
GAA P10253 2/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CNR2 P34972 5/20 0.39
CNR1 P21554 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL5546857 0.92 CYP2C19 (0.41) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5548650 0.90 CNR2 (0.44) KDM4EALDH1A1CNR2CNR1TSHR
SCHEMBL15163633 0.90 CNR2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1CNR2
SCHEMBL5547092 0.90 CYP2C19 (0.46) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5539930 0.90 CYP2C19 (0.46) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5543248 0.90 CYP2C19 (0.45) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5546009 0.89 CYP2C19 (0.46) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5547250 0.89 CYP2C19 (0.44) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5539125 0.89 CYP2C19 (0.45) CYP2C19GAANAMPTMEN1KMT2A
SCHEMBL5539016 0.88 CNR2 (0.47) CNR2CNR1TSHRHPGD

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 4 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

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 CYP2C19 2324/4885GAA 2514/4885NAMPT 18/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 CYP2C19 2455/4885GAA 1077/4885NAMPT 47/4885

“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.