Sugi Predict

Sugi Predict / Compounds / SCHEMBL3066032

SCHEMBL3066032

SCHEMBL3066032

CC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNA2 P51530 1/20 0.66
▸ CASP6 P55212 1/20 0.66
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ BRPF1 P55201 1/20 0.60
▸ PBRM1 Q86U86 1/20 0.49
▸ MAPT P10636 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ FBP1 P09467 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CLK1 P49759 2/20 0.45
▸ DYRK1A Q13627 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL6537720 0.90 DNA2 (0.78) DNA2CASP6CTDSP1BRPF1PBRM1
SCHEMBL1277854 0.88 DNA2 (0.83) DNA2CASP6CTDSP1MAPTMAPK1
SCHEMBL571879 0.82 DNA2 (0.63) DNA2CASP6CTDSP1BRPF1MAPT
SCHEMBL6215533 0.81 DNA2 (0.61) DNA2CASP6CTDSP1BRPF1MAPT
SCHEMBL5897373 0.81 CLEC4M (0.57) DNA2CASP6CTDSP1MAPTMAPK1
SCHEMBL4334739 0.79 DNA2 (1.00) DNA2CASP6CTDSP1FBP1CLK1
SCHEMBL19220845 0.78 DNA2 (0.72) DNA2CASP6CTDSP1MAPTMAPK1
SCHEMBL28312938 0.78 MAPT (0.57) DNA2CASP6CTDSP1MAPTMAPK1
SCHEMBL23198582 0.76 DNA2 (0.52) DNA2CASP6CTDSP1MAPTALDH1A1
SCHEMBL24735662 0.76 PBRM1 (0.53) DNA2CASP6CTDSP1PBRM1NPC1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615898-B1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2014-10-29 — — EP disclosed
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 — — US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 — — US disclosed
US-7615562-B2 Such as 2-methyl-4-{5-[2-(2,2,6,6-tetramethyl-piperidin-4-ylamino)-pyrimidin-4-yl]-thiophen-2-yl}-butan-2-ol; tumor necrosis factor inhibitors; immunosuppressants; antiinflammatory agents NOVARTIS AG (CH) 2009-11-10 — — US disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 — — EP disclosed
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use NOVARTIS AG (CH) 2007-02-22 — — US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 — — US disclosed
EP-1615898-A1 2-AMINOPYRIMIDINE DERIVATIVES AND THEIR MEDICAL USE Novartis AG (CH) 2006-01-18 — — EP disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 — — US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 — — US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 — — US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 — — EP disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 — — EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 — — EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 — — WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 — — WO disclosed
WO-2000077027-A2 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2000-12-21 — — WO disclosed
US-5767283-A CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC EISAI CO., LTD. (JP) 1998-06-16 — — US disclosed
US-5721246-A ANTITUMOR AGENTS; LOW TOXICITY EISAI CO., LTD. (JP) 1998-02-24 — — US disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 — — EP 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 (5 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 DNA2 4615/4885CASP6 515/4885CTDSP1 3689/4885
US-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 DNA2 4850/4885CASP6 1697/4885CTDSP1 3105/4885
US-20070043048-A1 2-Aminopyrimidine derivatives and their medical use TPMT, IKBKB, CHUK DNA2 2278/4885CASP6 341/4885CTDSP1 964/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 DNA2 4814/4885CASP6 200/4885CTDSP1 2705/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 DNA2 4850/4885CASP6 1697/4885CTDSP1 3105/4885

“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.