Sugi Predict

Sugi Predict / Compounds / SCHEMBL4155596

SCHEMBL4155596

SCHEMBL4155596

C=C1c2c(c(O)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KAT2B Q92831 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 4/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ THRB P10828 2/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL4162838 0.92 CYP1A2 (0.47) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL14260138 0.89 CYP1A2 (0.42) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL13944210 0.86 CYP2C19 (0.37) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL13943823 0.84 CYP1A2 (0.39) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL4158388 0.83 CYP1A2 (0.41) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL4150453 0.82 CYP1A2 (0.54) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL13968039 0.81 EP300 (0.46) KAT2BTACR1PTGER4COMT
SCHEMBL14260125 0.81 CYP1A2 (0.48) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL4158423 0.80 CYP1A2 (0.44) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1
SCHEMBL13943471 0.80 CYP1A2 (0.50) CYP1A2CYP2C19KAT2BKDM4EL3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2009-01-29 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds GILEAD SCIENCES, INC. 2008-03-27 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
US-7253180-B2 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. (US) 2007-08-07 — — US disclosed
EP-1742642-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2007-01-17 — — EP disclosed
US-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-09-28 — — US disclosed
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds GILEAD SCIENCES, INC. 2006-06-01 — — US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — WO disclosed
EP-1558613-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-08-03 — — EP disclosed
EP-1507757-A1 LACTAMS USED AS ANTI-VIRAL AGENTS Bayer HealthCare AG (DE) 2005-02-23 — — EP disclosed
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-26 — — US disclosed
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds GILEAD SCIENCES, INC. 2004-08-12 — — US disclosed
WO-2004035577-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2004035576-A2 PRE-ORGANIZED TRICYCLIC INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-04-29 — — WO disclosed
WO-2003097595-A1 LACTAMS USED AS ANTI-VIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-11-27 — — 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 (6 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-20060217410-A1 Pre-organized tricyclic integrase inhibitor compounds CCNI, INTS6, CCNE1 CYP1A2 154/4885CYP2C19 228/4885KAT2B 1112/4885
US-20040167124-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CYP1A2 659/4885CYP2C19 527/4885KAT2B 1517/4885
US-20040157804-A1 Pre-organized tricyclic integrase inhibitor compounds INTS6, INTS9, MUS81 CYP1A2 659/4885CYP2C19 527/4885KAT2B 1517/4885
US-20090029939-A1 Pre-organized tricyclic integrase inhibitor compounds MUS81, CDKL4, INTS6 CYP1A2 330/4885CYP2C19 585/4885KAT2B 1499/4885
US-20060116356-A1 Phosphonate analogs of HIV integrase inhibitor compounds TYMP, PNP, PIKFYVE CYP1A2 4127/4885CYP2C19 3332/4885KAT2B 1422/4885
US-20080076738-A1 Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds TYMP, PNP, PIKFYVE CYP1A2 4127/4885CYP2C19 3332/4885KAT2B 1422/4885

“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.