SCHEMBL6709928

SCHEMBL6709928

O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.54
KCNQ3 O43525 7/20 0.52
KCNQ2 O43526 7/20 0.52
KCNE1 P15382 6/20 0.52
KCNQ1 P51787 6/20 0.52
BACE1 P56817 1/20 0.52
HCAR3 P49019 1/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
CXCR2 P25025 1/20 0.48
PHGDH O43175 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL6708189 0.88 NPC1 (0.60) KCNMA1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6706188 0.87 KCNMA1 (0.57) KCNMA1HCAR3MDM4TP53MDM2
SCHEMBL6709840 0.87 KCNQ3 (0.52) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6710007 0.87 HCAR3 (0.50) HCAR3MDM4TP53MDM2PHGDH
SCHEMBL6707243 0.86 GAA (0.61) KCNMA1HCAR3MDM4TP53MDM2
SCHEMBL6705957 0.85 KCNMA1 (0.56) KCNMA1KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6705919 0.83 KMT2A (0.62) KCNQ3KCNQ2KCNE1KCNQ1HCAR3
SCHEMBL6705958 0.83 MAPT (0.68) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL6707292 0.83 HCAR3 (0.61) KCNMA1KCNQ3KCNQ2HCAR3MDM4
SCHEMBL6709853 0.83 RAB9A (0.67) HCAR3MDM4TP53MDM2PHGDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNMA1 2029/4885KCNQ3 3841/4885KCNQ2 3402/4885
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 KCNMA1 2559/4885KCNQ3 3677/4885KCNQ2 3538/4885

“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.