SCHEMBL966583

SCHEMBL966583

O=C(c1ccco1)N1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
SMO Q99835 1/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 7/20 0.49
MAPT P10636 6/20 0.48
HSD17B10 Q99714 4/20 0.47
LMNA P02545 5/20 0.47
MAPK1 P28482 4/20 0.47
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 3/20 0.45
HPGD P15428 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ABCC1 P33527 1/20 0.45
STAT1 P42224 1/20 0.45
HIF1A Q16665 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL971586 0.89 GRIA1 (0.44) ALDH1A1SMOKDM4E
SCHEMBL968365 0.83 TP53 (0.47) ALDH1A1SMOLMNATSHRSMN1; SMN2
SCHEMBL967148 0.82 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL965866 0.82 KDM4E (0.39) ALDH1A1SMOMEN1KMT2AKDM4E
SCHEMBL966726 0.81 MAPK1 (0.42) ALDH1A1SMOMEN1KMT2AKDM4E
SCHEMBL968230 0.80 GRIA1 (0.38) MEN1KMT2ATSHRHPGDSMN1; SMN2
SCHEMBL966266 0.80 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL967522 0.80 ACHE (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL966823 0.79 CALCA (0.39) ALDH1A1KDM4EHSD17B10LMNANPSR1
SCHEMBL969656 0.76 CALCA (0.39) ALDH1A1KMT2AKDM4EMAPTHSD17B10

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-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-20110003794-A1 Naphthyridine Integrase Inhibitors GSK LLC 2011-01-06 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-7812016-B2 Naphthyridine integrase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-10-12 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 US disclosed
US-20070142365-A1 Naphthyridine integrase inhibitors GSK LLC 2007-06-21 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-20110003794-A1 Naphthyridine Integrase Inhibitors PCNA, SAMHD1, NTPCR ALDH1A1 2955/4885SMO 4609/4885MEN1 4802/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR ALDH1A1 2955/4885SMO 4609/4885MEN1 4802/4885

“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.