SCHEMBL5545490

SCHEMBL5545490

CCCCn1c(=O)c(C(=O)NCCNC(C)=O)c(O)c2ncc(Cc3ccc(F)cc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
POLB P06746 2/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
USP2 O75604 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 2/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TNF P01375 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL5538946 0.93 L3MBTL1 (0.41) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5540640 0.92 MEN1 (0.48) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5546125 0.91 L3MBTL1 (0.42) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5547077 0.91 L3MBTL1 (0.52) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5538465 0.90 L3MBTL1 (0.42) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5546735 0.89 L3MBTL1 (0.40) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5540932 0.88 MEN1 (0.43) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5538489 0.88 POLB (0.45) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5538495 0.88 POLB (0.45) MEN1KMT2APOLBKDM4ESMN1; SMN2
SCHEMBL5545917 0.88 POLB (0.45) MEN1KMT2APOLBKDM4ESMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US claimed
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 MEN1 4802/4885KMT2A 502/4885POLB 113/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 MEN1 4837/4885KMT2A 819/4885POLB 115/4885

“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.