SCHEMBL5546779

SCHEMBL5546779

CCn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
KDM4E B2RXH2 9/20 0.48
TSHR P16473 4/20 0.48
ALOX15 P16050 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
MAPK1 P28482 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42
PKM P14618 1/20 0.41
GPR52 Q9Y2T5 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
SCHEMBL5547077 0.92 L3MBTL1 (0.52) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5539033 0.92 L3MBTL1 (0.43) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5540640 0.91 MEN1 (0.48) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL16009659 0.91 L3MBTL1 (0.43) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL15163642 0.90 ALDH1A1 (0.44) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5538465 0.90 L3MBTL1 (0.42) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5545559 0.90 L3MBTL1 (0.41) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5538916 0.89 L3MBTL1 (0.42) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5543218 0.89 L3MBTL1 (0.41) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2
SCHEMBL5538628 0.89 L3MBTL1 (0.41) L3MBTL1KDM4ETSHRALOX15SMN1; SMN2

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 6 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
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 L3MBTL1 1411/4885KDM4E 1268/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 L3MBTL1 1408/4885KDM4E 1255/4885TSHR 4622/4885

“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.