Sugi Predict

Sugi Predict / Compounds / SCHEMBL5545229

SCHEMBL5545229

SCHEMBL5545229

CS(=O)(=O)c1ccc(Cn2c(=O)c(C(=O)NCc3ccncc3)c(O)c3ncc(Cc4ccccc4)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.49
▸ USP2 O75604 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ ALOX12 P18054 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ EGLN1 Q9GZT9 4/20 0.45
▸ EGLN3 Q9H6Z9 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL16999961 0.96 EGLN1 (0.48) LMNASMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL5546666 0.93 L3MBTL1 (0.45) LMNAUSP2TSHRSMN1; SMN2MAPT
SCHEMBL5546823 0.88 KDM4E (0.49) LMNAKDM4EALDH1A1HPGDALOX12
SCHEMBL5538456 0.87 RXFP1 (0.47) LMNAUSP2TSHRSMN1; SMN2MAPT
SCHEMBL5546934 0.87 EGLN1 (0.49) LMNAKDM4EHTTALOX15EGLN1
SCHEMBL6062479 0.86 FEN1 (0.51) EGLN1MEN1KMT2A
SCHEMBL5547058 0.85 KDM4E (0.49) LMNATSHRKDM4EALDH1A1TDP1
SCHEMBL5545820 0.84 CNR1 (0.49) EGLN1BRD4
SCHEMBL5545819 0.83 CNR2 (0.52) EGLN1NPC1RAB9ABRD4
SCHEMBL5545344 0.81 KDM4E (0.46) LMNATSHRMAPTKDM4EALDH1A1

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-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 — — US claimed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US claimed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 — — EP claimed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 — — US claimed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 — — EP claimed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 — — WO claimed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 — — US disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 — — US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 — — US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 — — US disclosed
US-8691991-B2 2-oxonaphthyridine-3-carboxamides HIV integrase inhibitors SHIONOGI & CO., LTD. (JP) 2014-04-08 — — US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 — — EP disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 — — EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 — — US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 — — US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 — — US disclosed
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure EDUSA PHARMACEUTICALS, INC. 2006-08-24 — — US disclosed
US-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders DYNOGEN PHARMACEUTICALS, INC. (US) 2005-03-17 — — 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 (4 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-20050059704-A1 Compositions useful for treating gastrointestinal motility disorders HRH2, MLNR, HTR3A LMNA 3169/4885USP2 2865/4885TSHR 388/4885
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 LMNA 3503/4885USP2 4117/4885TSHR 4052/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 LMNA 4134/4885USP2 4003/4885TSHR 4622/4885
US-20060189648-A1 Compositions useful for increasing lower esophageal sphincter pressure HTR3A, HTR3D, HTR3B LMNA 788/4885USP2 3166/4885TSHR 1515/4885

“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.