Sugi Predict

Sugi Predict / Compounds / SCHEMBL3708239

SCHEMBL3708239

SCHEMBL3708239

O=C(NCc1ccccc1)NCc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 3/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GRIK1 P39086 1/20 0.37
▸ GRIA1 P42261 1/20 0.37
▸ GRIA2 P42262 1/20 0.37
▸ GRIA3 P42263 1/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ GRIK2 Q13002 1/20 0.37
▸ GRIK3 Q13003 1/20 0.37
▸ GRIK4 Q16099 1/20 0.37
▸ GRIK5 Q16478 1/20 0.37
▸ METTL3 Q86U44 2/20 0.36
▸ SCD O00767 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL3684337 0.92 HDAC6 (0.38) ALDH1A1GAAMETTL3TP53MEN1
SCHEMBL3692752 0.91 GLS (0.42) GLSMETTL3CLK4
SCHEMBL3790970 0.91 ALDH1A1 (0.46) GLSALDH1A1HPGDTSHRL3MBTL1
SCHEMBL3696257 0.90 ALDH1A1 (0.40) ALDH1A1HPGDTSHRL3MBTL1KDM4E
SCHEMBL3692029 0.88 HIF1A (0.40) HPGDKDM4EMETTL3LMNATP53
SCHEMBL3790494 0.88 KDM4E (0.47) ALDH1A1HPGDKDM4EGAAMETTL3
SCHEMBL3687315 0.87 PTGDR2 (0.37) GLSALDH1A1HPGDKDM4EGAA
SCHEMBL3699486 0.85 HSD17B10 (0.38) ALDH1A1KDM4EMETTL3HSD17B10ERN1
SCHEMBL3691246 0.84 HSD17B10 (0.34) ALDH1A1TSHRKDM4EGAALMNA
SCHEMBL3795152 0.84 TSHR (0.40) ALDH1A1HPGDTSHRL3MBTL1KDM4E

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 — — 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 GLS 209/4885ALDH1A1 1337/4885HPGD 446/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 GLS 209/4885ALDH1A1 1337/4885HPGD 446/4885

“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.