Sugi Predict

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SCHEMBL1911345

SCHEMBL1911345

O=C(OCc1ccccc1)N(C(=O)OCc1ccccc1)[C@@H]1C=C[C@H](n2cnc3c(Cl)nc(Cl)nc32)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NT5E P21589 8/20 0.38
▸ PDE2A O00408 2/20 0.37
▸ AHCY P23526 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL11990723 0.92 ABCB1 (0.43) NT5EAHCYABCB1
SCHEMBL1911346 0.85 ADORA3 (0.50) NT5EADORA3ADORA2AADORA1
SCHEMBL3023218 0.82 LMNA (0.41) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL239530 0.80 LMNA (0.39) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL3001751 0.74 NT5E (0.38) NT5EADORA1
SCHEMBL1401991 0.72 NT5E (0.34) NT5EABCB1ADORA3
SCHEMBL241801 0.72 ADORA3 (0.52) NT5EADORA3ADORA2AADORA1
SCHEMBL4432120 0.72 LMNA (0.37) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL242794 0.70 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1
SCHEMBL8918687 0.70 LMNA (0.49) LMNATP53ALDH1A1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 — — US disclosed
US-8071565-B2 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2011-12-06 — — US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 — — US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 — — US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20100240680-A1 Purine derivatives as a2a agonists NOVARTIS AG (CH) 2010-09-23 — — US disclosed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 — — US disclosed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 — — US disclosed
WO-2009050198-A2 COMBINATION COMPRISING PURINE DERIVATIVES AND OTHER COMPOUNDS AND THE USE THEREOF FOR THE TREATMENT OF INFLAMMATORY AND OBSTRUCTIVE AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-23 — — WO disclosed
EP-1889846-A1 Purine derivatives as A2a agonists Novartis AG (CH) 2008-02-20 — — EP disclosed
WO-2008006563-A1 PURINE DERIVATIVES AS A2A AGONISTS NOVARTIS AG (CH) 2008-01-17 — — 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 (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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885
US-20100240680-A1 Purine derivatives as a2a agonists ADORA2A, ADORA1, ADORA3 LMNA 2590/4885TP53 3965/4885ALDH1A1 702/4885
US-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R LMNA 2511/4885TP53 3430/4885ALDH1A1 749/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 LMNA 3993/4885TP53 969/4885ALDH1A1 166/4885

“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.