Sugi Predict

Sugi Predict / Compounds / SCHEMBL12378080

SCHEMBL12378080

SCHEMBL12378080

CCNS(=O)(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ COMT P21964 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ ALOX12 P18054 1/20 0.34
▸ MMP2 P08253 1/20 0.34

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
SCHEMBL4750609 0.92 KDM4E (0.38) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL13592665 0.91 KDM4E (0.40) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL14573770 0.91 KDM4E (0.37) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL13592668 0.90 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL29390607 0.90 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4652222 0.90 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4694673 0.89 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL4693753 0.89 KDM4E (0.39) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL13592667 0.88 KDM4E (0.37) KDM4ELMNAHSP90AA1MAPTHTT
SCHEMBL12378084 0.88 KDM4E (0.38) KDM4ELMNAHSP90AA1MAPTHTT

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-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-8008287-B2 Use treating HIV and AIDS; tricyclic compounds such as those based on 5-sulfonamido-9-hydroxy-6,8-dihydrdo-7H-pyrrolo[3,4-g]quinoline-8-one GILEAD SCIENCES, INC. (US) 2011-08-30 — — US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 — — US disclosed
US-20090306054-A1 INTEGRASE INHIBITORS GILEAD SCIENCES ,INC. (US) 2009-12-10 — — US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 — — US disclosed
US-20080058315-A1 Integrase inhibitors GILEAD SCIENCES, INC. 2008-03-06 — — 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-20080058315-A1 Integrase inhibitors TYMP, DNTT, PAICS KDM4E 1971/4885LMNA 907/4885HSP90AA1 3878/4885
US-20090306054-A1 INTEGRASE INHIBITORS TYMP, POLR2E, CCNI KDM4E 960/4885LMNA 812/4885HSP90AA1 4008/4885

“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.