SCHEMBL6215533

SCHEMBL6215533

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNA2 P51530 1/20 0.61
▸ CASP6 P55212 1/20 0.61
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ CTSD P07339 1/20 0.57
▸ 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
▸ GUSB P08236 1/20 0.44
▸ FBP1 P09467 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ BRPF1 P55201 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
SCHEMBL1277854 0.84 DNA2 (0.83) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL3066032 0.81 DNA2 (0.66) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL571879 0.79 DNA2 (0.63) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL5897373 0.77 CLEC4M (0.57) DNA2CASP6CTDSP1FBP1ALDH1A1
SCHEMBL19220845 0.77 DNA2 (0.72) DNA2CASP6CTDSP1GUSBFBP1
SCHEMBL4334739 0.76 DNA2 (1.00) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL6537720 0.75 DNA2 (0.78) DNA2CASP6CTDSP1CLK1DYRK1A
SCHEMBL19220852 0.75 DNA2 (0.71) DNA2CASP6CTDSP1GUSBMEN1
SCHEMBL7539226 0.74 CTSD (0.75) CTSDALDH1A1L3MBTL1KDM4E
SCHEMBL962966 0.74 CTSD (1.00) CTSDALDH1A1TDP1L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222182-B1 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMA INC (US) 2005-11-16 — — EP disclosed
EP-1212269-B1 METHODS FOR PREPARING N- (ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMA INC (US) 2004-10-27 — — EP disclosed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 — — US disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 — — US disclosed
US-6492553-B1 A METHOD FOR PREPARING A N-((ALIPHATIC OR AROMATIC)CARBONYL) )-2-AMINOACETAMIDE COMPOUND, AND FOR PREPARING A CYCLIZED COMPOUND THEREFROM, AS WELL AS NOVEL RESIN BOUND INTERMEDIATE COMPOUNDS THAT ARE USEFUL FOR PREPARING SUCH COMPOUNDS. AVENTIS PHARAMACEUTICALS INC. 2002-12-10 — — US disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 — — EP disclosed
EP-1212269-A1 METHODS FOR PREPARING N- (ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2002-06-12 — — EP disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 — — WO disclosed
WO-2001010799-A1 METHODS FOR PREPARING N-[(ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMACEUTICAL PRODUCTS INC. (US) 2001-02-15 — — 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 (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-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 DNA2 2277/4885CASP6 1162/4885CTDSP1 1275/4885

“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.

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