Sugi Predict

Sugi Predict / Compounds / SCHEMBL2004290

SCHEMBL2004290

SCHEMBL2004290

O=[N+]([O-])c1c(Cl)ccc2ncccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ NCOA1 Q15788 1/20 0.54
▸ NCOA3 Q9Y6Q9 1/20 0.54
▸ CYP1A2 P05177 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ KDM4E B2RXH2 6/20 0.48
▸ MAPT P10636 5/20 0.48
▸ KMT2A Q03164 8/20 0.46
▸ MEN1 O00255 7/20 0.46
▸ TDP1 Q9NUW8 3/20 0.46
▸ PKM P14618 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ GAA P10253 2/20 0.44
▸ NPY1R P25929 2/20 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
SCHEMBL8381644 0.80 POLB (0.54) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL31233910 0.80 POLB (0.54) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL10309413 0.80 MAPT (0.56) POLBNCOA1NCOA3CYP1A2TSHR
SCHEMBL12101490 0.80 POLB (0.54) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL4079065 0.80 POLB (0.54) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL1982991 0.80 ALDH1A1 (0.59) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL3037149 0.80 POLB (0.54) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL202480 0.78 MEN1 (0.45) POLBALDH1A1CYP1A2KDM4EMAPT
SCHEMBL9051773 0.78 NPY1R (0.53) POLBALDH1A1NCOA1NCOA3CYP1A2
SCHEMBL9050812 0.78 NPY1R (0.50) POLBALDH1A1NCOA1NCOA3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107952425-B Preparation method of antitumor drug NVP-BEZ235 intermediate 四川协力制药股份有限公司 2020-05-08 — — CN disclosed
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 — — EP disclosed
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 — — EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 — — US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 — — US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 — — US disclosed
US-7759459-B2 Fluorescent assays for protein kinases ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2010-07-20 — — US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 — — US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 — — US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 — — US disclosed
EP-0418071-B1 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER (US) 1995-04-26 — — EP disclosed
US-5362878-A Intermediates for making N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase (ACAT) PFIZER INC. (US) 1994-11-08 — — US disclosed
EP-0609960-A1 New N-heteroarylamide derivatives as inhibitors of acyl coenzyme A: cholestrol acyl transferase PFIZER INC. (US) 1994-08-10 — — EP disclosed
EP-0590094-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1994-04-06 — — EP disclosed
WO-1992019614-A1 4-ARYL-3-(HETEROARYLUREIDO)QUINOLINE DERIVATIVES PFIZER INC. (US) 1992-11-12 — — WO disclosed
CN-1066068-A 4-aryl-3-(fragrant heterocyclic radical urea groups) quinoline derivatives PFIZER (US) 1992-11-11 — — CN disclosed
WO-1991004027-A1 NEW N-ARYL AND N-HETEROARYLAMIDE AND UREA DERIVATIVES AS INHIBITORS OF ACYL COENZYME A: CHOLESTEROL ACYL TRANSFERASE (ACAT) PFIZER INC. (US) 1991-04-04 — — WO disclosed
CN-1050183-A New N-aryl and N-heteroaryl amide and urea derivatives as acyl-coenzyme a cholesterol acyltransferase (ACAT) inhibitor PFIZER (US) 1991-03-27 — — CN disclosed
EP-0418071-A2 New N-aryl and N-heteroarylamide and urea derivatives as inhibitors of acyl coenzyme A: cholesterol acyl transferase PFIZER INC. (US) 1991-03-20 — — EP disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 — — 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 (1 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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP POLB 3932/4885ALDH1A1 495/4885NCOA1 653/4885

“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.