Sugi Predict

Sugi Predict / Compounds / SCHEMBL967148

SCHEMBL967148

SCHEMBL967148

O=C(CN1CCN(c2nc(-c3nnc(Cc4ccccc4)o3)c(O)c3ncccc23)CC1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 5/20 0.38
▸ TP53 P04637 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MPI P34949 1/20 0.38
▸ SNCA P37840 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ APP P05067 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ ALOX15 P16050 1/20 0.37

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
SCHEMBL965866 0.86 KDM4E (0.39) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL971586 0.84 GRIA1 (0.44) ALDH1A1KDM4EDGAT1GRIA1CALCA
SCHEMBL966266 0.84 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTMEN1KDM4E
SCHEMBL966583 0.82 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL967522 0.81 ACHE (0.42) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL968016 0.79 CALCA (0.39) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL967782 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL966726 0.79 MAPK1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNATSHR
SCHEMBL968365 0.79 TP53 (0.47) ALDH1A1SMN1; SMN2LMNATSHRTP53
SCHEMBL968230 0.78 GRIA1 (0.38) SMN1; SMN2TSHRMEN1DGAT1RAB9A

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 2955/4885SMN1; SMN2 4318/4885MAPT 1418/4885
US-20070142365-A1 Naphthyridine integrase inhibitors PCNA, SAMHD1, NTPCR ALDH1A1 2955/4885SMN1; SMN2 4318/4885MAPT 1418/4885

“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.