SCHEMBL6709840

SCHEMBL6709840

O=C(Nc1cc(F)c(F)cc1[N+](=O)[O-])c1ccc(Cl)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 7/20 0.52
KCNQ2 O43526 7/20 0.52
KCNE1 P15382 7/20 0.52
KCNQ1 P51787 7/20 0.52
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50
BACE1 P56817 1/20 0.47
HTT P42858 1/20 0.46
KDR P35968 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PHGDH O43175 1/20 0.45
HCAR3 P49019 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CXCR2 P25025 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
SCHEMBL6709928 0.87 KCNMA1 (0.54) KCNQ3KCNQ2KCNE1KCNQ1MDM4
SCHEMBL6707129 0.85 KMT2A (0.53) KCNQ3KCNQ2KCNE1KCNQ1MDM4
SCHEMBL6708189 0.84 NPC1 (0.60) KCNQ3KCNQ2KCNE1KCNQ1MDM4
SCHEMBL6710007 0.83 HCAR3 (0.50) MDM4TP53MDM2HTTKDR
SCHEMBL6706188 0.83 KCNMA1 (0.57) MDM4TP53MDM2HTTKDR
SCHEMBL6707105 0.82 MAPT (0.51) KCNQ3KCNQ2MDM4TP53MDM2
SCHEMBL6707243 0.82 GAA (0.61) MDM4TP53MDM2RAB9ASMN1; SMN2
SCHEMBL6705957 0.81 KCNMA1 (0.56) KCNQ3KCNQ2KCNE1KCNQ1MDM4
SCHEMBL6705924 0.81 PHGDH (0.69) MDM4TP53MDM2HTTKDR
SCHEMBL6705919 0.79 KMT2A (0.62) KCNQ3KCNQ2KCNE1KCNQ1MDM4

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
US-6794397-B2 ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2004-09-21 US claimed
EP-1257536-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-11-20 EP claimed
US-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 US claimed
WO-2001055115-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-08-02 WO claimed
US-20040235846-A1 Administering substituted nicotinamides and nicotinamide analogs for therapy of disorder responsive to the induction of apoptosis in an animal; anti-cancer agents CYTOVIA, INC. 2004-11-25 US disclosed
US-6794397-B2 ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2004-09-21 US disclosed
EP-1257536-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-11-20 EP disclosed
US-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 US disclosed
WO-2001055115-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-08-02 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 (2 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-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, BAD, CASP12 KCNQ3 3841/4885KCNQ2 3402/4885KCNE1 1801/4885
US-20040235846-A1 Administering substituted nicotinamides and nicotinamide analogs for therapy of disorder responsive to the induction of apoptosis in an animal; anti-cancer agents NAMPT, BAD, NNT KCNQ3 3677/4885KCNQ2 3538/4885KCNE1 1934/4885

“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.