Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663325

SCHEMBL1663325

SCHEMBL1663325

O=[N+]([O-])c1ccc(-c2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.63
▸ CRHR2 Q13324 1/20 0.63
▸ TDP1 Q9NUW8 3/20 0.53
▸ POLB P06746 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ABCB1 P08183 7/20 0.50
▸ ABCC1 P33527 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KCNMA1 Q12791 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ HPRT1 P00492 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL28055312 0.91 CRHBP (0.54) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL3976788 0.89 TDP1 (0.64) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL27939312 0.86 ALDH1A1 (0.63) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL2816974 0.86 CRHBP (0.61) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL27794878 0.85 ALDH1A1 (0.61) CRHBPCRHR2TDP1POLBALDH1A1
Biphenyl SCHEMBL27480125 0.84 ALDH1A1 (0.71) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL3276362 0.84 TDP1 (0.66) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL30352851 0.84 TDP1 (0.66) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL17742439 0.84 TDP1 (0.66) CRHBPCRHR2TDP1POLBALDH1A1
SCHEMBL27728910 0.83 TDP1 (0.53) CRHBPCRHR2TDP1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075324-A1 Melanin concentrating hormone antagonists THE PROCTER & GAMBLE COMPANY (US) 2005-04-07 — — US claimed
CN-1314894-A Substituted phenyluracils BAYER AG (DE) 2001-09-26 — — CN claimed
CN-1259943-A Substituted aryluracils BAYER AG (DE) 2000-07-12 — — CN claimed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 — — US disclosed
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 — — CN disclosed
CN-105473544-A 3- (5-substituted oxy-2, 4-dinitro-phenyl) -2-oxy-propanoate compounds, methods and uses thereof ANTHEM BIOSCIENCES PRIVATE LTD 2016-04-06 — — CN disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 — — US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 — — US disclosed
CN-101891680-B Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-29 — — CN disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 — — US disclosed
CN-102015698-B Oxazolidinone derivatives ACTELION PHARMACEUTICALS LTD 2014-08-27 — — CN disclosed
CN-1495171-A Indazol compound for inhibiting protein kinase and medicine composition and their application ������ҩ�����޹�˾ 2004-05-12 — — CN disclosed
CN-1137884-C Indazole compounds and pharmaceutical compositions that inhibit protein kinases and methods of use thereof ������ҩ�����޹�˾ 2004-02-11 — — CN disclosed
CN-1101390-C Heterocyclyl uracils BAYER AG (DE) 2003-02-12 — — CN disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 — — CN disclosed
CN-1374950-A Indazole compounds and pharmaceutical compositions for inhibiting protein kinases and their use AGOURON PHARMACETUICALS INC (US) 2002-10-16 — — CN disclosed
CN-1314894-A Substituted phenyluracils BAYER AG (DE) 2001-09-26 — — CN disclosed
CN-1270583-A Substituted phenyluracils BAYER AG (DE) 2000-10-18 — — CN disclosed
CN-1253550-A Phenyl-uracil derivatives with herbicidal action BAYER AG (DE) 2000-05-17 — — CN disclosed
CN-1240442-A Heterocyclyl uracils BAYER AG (DE) 2000-01-05 — — CN 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL CRHBP 318/4885CRHR2 1382/4885TDP1 4799/4885
US-20050075324-A1 Melanin concentrating hormone antagonists MCHR1, MCHR2, MC1R CRHBP 64/4885CRHR2 20/4885TDP1 4156/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF CRHBP 728/4885CRHR2 1029/4885TDP1 4089/4885

“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.